| Internal ID |
10fdeae9-3e72-44c2-afb2-9ed4ac85e95e |
| Taxonomy |
Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Triterpene glycosides > Triterpene saponins |
| IUPAC Name |
(2S,3S,4S,5R,6S)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-4-acetyloxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid |
| SMILES (Canonical) |
CC1C(C(C(C(O1)OC2C(OC(C(C2O)OC3C(C(C(C(O3)C)OC4C(C(C(CO4)O)OC5C(C(C(CO5)O)O)O)O)O)O)OC(=O)C67CCC(CC6C8=CCC9C1(CCC(C(C1CCC9(C8(CC7)C)C)(C)C=O)OC1C(C(C(C(O1)C(=O)O)O)OC1C(C(C(CO1)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)(C)C)C)O)OC(=O)C)O |
| SMILES (Isomeric) |
C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O)OC(=O)[C@@]67CC[C@@]8(C(=CC[C@H]9[C@]8(CC[C@@H]1[C@@]9(CC[C@@H]([C@@]1(C)C=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)C)[C@@H]6CC(CC7)(C)C)C)C)O)OC(=O)C)O |
| InChI |
InChI=1S/C77H120O40/c1-27-40(84)57(107-30(4)80)53(97)68(104-27)111-55-29(3)106-69(60(50(55)94)115-66-49(93)45(89)54(28(2)105-66)110-65-52(96)56(35(83)25-103-65)112-63-46(90)41(85)33(81)23-101-63)117-71(100)77-19-17-72(5,6)21-32(77)31-11-12-38-73(7)15-14-39(74(8,26-79)37(73)13-16-76(38,10)75(31,9)18-20-77)109-70-61(116-67-48(92)44(88)43(87)36(22-78)108-67)58(51(95)59(114-70)62(98)99)113-64-47(91)42(86)34(82)24-102-64/h11,26-29,32-61,63-70,78,81-97H,12-25H2,1-10H3,(H,98,99)/t27-,28+,29-,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+,58+,59+,60-,61-,63+,64+,65+,66+,67+,68+,69+,70+,73+,74+,75-,76-,77+/m1/s1 |
| InChI Key |
WOFIYEQQLCGVHO-RUQUBMEPSA-N |
| Popularity |
0
references in papers
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