Primary record
Dipsacus saponin C
- CAS
- 152406-43-4
- PubChem CID
- 3083455
- SMILES
- C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CO[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)O[C@H]7CC[C@@]8([C@H]9CC=C1[C@H]2CC(CC[C@@]2(CC[C@]1([C@@]9(CCC8C7(C)CO)C)C)C(=O)O)(C)C)C)O)O)O
- Molecular Formula
- C64H104O30
- Molecular Weight
- 1353.506
- Exact Mass
- 1352.6612
- InChI
- InChI=1S/C64H104O30/c1-25-36(69)41(74)45(78)53(85-25)89-32-23-84-56(90-35-12-13-60(5)33(61(35,6)24-67)11-14-63(8)34(60)10-9-27-28-19-59(3,4)15-17-64(28,58(81)82)18-16-62(27,63)7)50(93-54-46(79)42(75)37(70)26(2)86-54)48(32)91-57-51(94-55-47(80)43(76)39(72)30(20-65)87-55)49(40(73)31(21-66)88-57)92-52-44(77)38(71)29(68)22-83-52/h9,25-26,28-57,65-80H,10-24H2,1-8H3,(H,81,82)/t25-,26-,28+,29+,30+,31+,32-,33?,34+,35-,36-,37-,38-,39+,40+,41+,42+,43-,44+,45+,46+,47+,48-,49-,50+,51+,52-,53-,54-,55-,56-,57-,60-,61?,62+,63+,64-/m0/s1
- InChIKey
- DZWAZSYNHVCJRX-CZMUHZJFSA-N
- LogP
- -3.5154
- TPSA
- 471.74
Names and synonyms
- Dipsacus saponin C
- AC1MJ0NV
- RefChem:134870
- orb1991082
- CID3083455
- 152406-43-4
- C64-H104-O30
- (4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
- Hederagenin-3-O-xylopyranosyl-1-4-glucopyranosyl-1-4-glucopyranosyl-1-3-(rhamnopyranosyl-1-4)-rhamnopyranosyl-1-2-arabinopyranoside
- (3beta,4alpha)-3-((O-6-Deoxy-alpha-L-mannopyranosyl-(1-4)-O-(O-beta-D-xylopyranosyl-(1-4)-beta-D-glucopyranosyl-(1-3))-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-23-hydroxyolean-12-en-28-oic acid
- 3-((O-6-Deoxy-alpha-L-mannopyranosyl-(1-4)-O-(O-beta-D-xylopyranosyl-(1-4)-beta-D-glucopyranosyl-(1-3))-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-23-hydroxyolean-12-en-28-oic acid (3beta,4alpha)-
- 3-((O-6-Deoxy-alpha-L-mannopyranosyl-(1-4)-O-(O-beta-D-xylopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranosyl-(1-3))-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-23-hydroxyolean-12-en-28-oic acid (3beta,4alpha)-
- (4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-((2S,3R,4S,5S)-4-((2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-4-((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl)oxy-3,5-bis(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxy)oxan-2-yl)oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
- (4aS,6aS,6bR,10S,12aR,12bR,14bR)-10-{[(2S,3R,4S,5S)-4-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-bis({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
- Olean-12-en-28-oic acid, 3-((O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-(O-beta-D-xylopyranosyl-(1-4)-beta-D-glucopyranosyl-(1-3))-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-23-hydroxy-, (3beta,4alpha)-
- Olean-12-en-28-oic acid, 3-((O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-(O-beta-D-xylopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranosyl-(1-3))-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-23-hydroxy-, (3beta,4alpha)-