[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] (4aS,6bR,10S,12aR,14bS)-2,2,9,9,12a,14b-hexamethyl-10-oxidanyl-3,4,5,6a,6b,7,8,8a,10,11,12,13,14,14a-tetradecahydro-1H-picene-4a-carboxylate

Systemtic Name: [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] (4aS,6bR,10S,12aR,14bS)-2,2,9,9,12a,14b-hexamethyl-10-oxidanyl-3,4,5,6a,6b,7,8,8a,10,11,12,13,14,14a-tetradecahydro-1H-picene-4a-carboxylate Openeye Name: [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl] (4aS,6bR,10S,12aR,14bS)-10-hydroxy-2,2,9,9,12a,14b-hexamethyl-3,4,5,6a,6b,7,8,8a,10,11,12,13,14,14a-tetradecahydro-1H-picene-4a-carboxylate CAS Name: (4aS,6bR,10S,12aR,14bS)-10-hydroxy-2,2,9,9,12a,14b-hexamethyl-3,4,5,6a,6b,7,8,8a,10,11,12,13,14,14a-tetradecahydro-1H-picene-4a-carboxylic acid [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxymethyl]-3,4,5-trihydroxy-2-oxanyl] ester IUPAC Name: [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6bR,10S,12aR,14bS)-10-hydroxy-2,2,9,9,12a,14b-hexamethyl-3,4,5,6a,6b,7,8,8a,10,11,12,13,14,14a-tetradecahydro-1H-picene-4a-carboxylate Traditional Name: (4aS,6bR,10S,12aR,14bS)-10-hydroxy-2,2,9,9,12a,14b-hexamethyl-3,4,5,6a,6b,7,8,8a,10,11,12,13,14,14a-tetradecahydro-1H-picene-4a-carboxylic acid [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-methylol-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl] ester Formula: C47H76O17 MolecularWeight: 913.09614

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4(C6CCC7C(C6=CC5)CCC8C7(CCC(C8(C)C)O)C)C)(C)C)O)O)O)CO)O)O)O

Isomeric SMILES

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)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@]45CCC(C[C@]4(C6CCC7[C@H](C6=CC5)CCC8[C@@]7(CC[C@@H](C8(C)C)O)C)C)(C)C)O)O)O)CO)O)O)O

InChI

InChI=1S/C47H76O17/c1-21-30(50)32(52)35(55)40(60-21)63-38-26(18-48)61-39(37(57)34(38)54)59-19-27-31(51)33(53)36(56)41(62-27)64-42(58)47-15-12-23-22-8-11-28-44(4,5)29(49)13-14-45(28,6)24(22)9-10-25(23)46(47,7)20-43(2,3)16-17-47/h12,21-22,24-41,48-57H,8-11,13-20H2,1-7H3/t21-,22-,24?,25?,26+,27+,28?,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,45+,46-,47-/m0/s1