(2S,3S,4S,5R,6R)-6-[[(3S,5R,6aR,6bS,8aS,10R,14bR)-5-(hydroxymethyl)-5,6a,6b,8a,11,11,14b-heptamethyl-10-oxidanyl-1,2,3,4,4a,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R)-3-[(2S,3R,4R,5R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6R)-6-[[(3S,5R,6aR,6bS,8aS,10R,14bR)-5-(hydroxymethyl)-5,6a,6b,8a,11,11,14b-heptamethyl-10-oxidanyl-1,2,3,4,4a,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R)-3-[(2S,3R,4R,5R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6R)-6-[[(3S,5R,6aR,6bS,8aS,10R,14bR)-10-hydroxy-5-(hydroxymethyl)-5,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6R)-6-[[(3S,5R,6aR,6bS,8aS,10R,14bR)-10-hydroxy-5-(hydroxymethyl)-5,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[[(2S,3R,4S,5R)-4,5-dihydroxy-3-[[(2S,3R,4R,5R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-3,4-dihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6R)-6-[[(3S,5R,6aR,6bS,8aS,10R,14bR)-10-hydroxy-5-(hydroxymethyl)-5,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6R)-6-[[(3S,5R,6aR,6bS,8aS,10R,14bR)-10-hydroxy-5,6a,6b,8a,11,11,14b-heptamethyl-5-methylol-1,2,3,4,4a,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-tetrahydropyran-2-carboxylic acid Formula: C47H76O17 MolecularWeight: 913.09614

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(COC2OC3C(C(C(OC3OC4CCC5(C6CC=C7C8CC(C(CC8(CCC7(C6(CC(C5C4)(C)CO)C)C)C)O)(C)C)C)C(=O)O)O)O)O)O)O)O)O

Isomeric SMILES

CC1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](CO[C@H]2O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O[C@H]4CC[C@@]5(C6CC=C7C8CC([C@@H](C[C@@]8(CC[C@]7([C@@]6(C[C@@](C5C4)(C)CO)C)C)C)O)(C)C)C)C(=O)O)O)O)O)O)O)O)O

InChI

InChI=1S/C47H76O17/c1-21-29(51)31(53)34(56)39(60-21)63-36-30(52)25(49)18-59-40(36)64-37-33(55)32(54)35(38(57)58)62-41(37)61-22-11-12-45(6)26-10-9-23-24-16-42(2,3)28(50)17-43(24,4)13-14-46(23,7)47(26,8)19-44(5,20-48)27(45)15-22/h9,21-22,24-37,39-41,48-56H,10-20H2,1-8H3,(H,57,58)/t21?,22-,24?,25+,26?,27?,28+,29-,30-,31+,32-,33-,34+,35-,36+,37+,39-,40-,41+,43-,44-,45+,46+,47+/m0/s1