[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-5-[(2R,3S,4S,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)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4R,5R)-3-[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Systemtic Name: [(2S,3R,4R,5S,6R)-6-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-5-[(2R,3S,4S,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)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4R,5R)-3-[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate Openeye Name: [(2S,3R,4R,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3S,4S,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)-10-[(2S,3R,4R,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropic CAS Name: (4aS,6bR,10S,12aR)-10-[[(2S,3R,4R,5R)-4,5-dihydroxy-3-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-2-oxanyl]oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(2S,3R,4R,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2R,3S,4S,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,4R,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6bR,10S,12aR)-10-[(2S,3R,4R,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate Traditional Name: (4aS,6bR,10S,12aR)-10-[(2S,3R,4R,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(2S,3R,4R,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methylol-5-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrah Formula: C65H106O30 MolecularWeight: 1367.51914

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(COC3OC4CCC5(C(C4(C)C)CCC6(C5CC=C7C6(CCC8(C7CC(CC8)(C)C)C(=O)OC9C(C(C(C(O9)COC1C(C(C(C(O1)CO)OC1C(C(C(C(O1)C)O)O)O)O)O)O)O)O)C)C)C)O)O)O)O)O)O)O)O

Isomeric SMILES

C[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@H]([C@H]([C@@H](O2)O[C@@H]3[C@@H]([C@@H](CO[C@H]3O[C@H]4CC[C@]5(C(C4(C)C)CC[C@@]6(C5CC=C7C6(CC[C@@]8(C7CC(CC8)(C)C)C(=O)O[C@H]9[C@@H]([C@@H]([C@@H]([C@H](O9)CO[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)O)O)C)C)C)O)O)O)O)O)O)O)O

InChI

InChI=1S/C65H106O30/c1-25-36(68)41(73)46(78)53(87-25)85-23-31-39(71)43(75)48(80)56(90-31)94-52-38(70)29(67)22-84-58(52)92-35-13-14-62(7)33(61(35,5)6)12-15-64(9)34(62)11-10-27-28-20-60(3,4)16-18-65(28,19-17-63(27,64)8)59(83)95-57-49(81)44(76)40(72)32(91-57)24-86-54-50(82)45(77)51(30(21-66)89-54)93-55-47(79)42(74)37(69)26(2)88-55/h10,25-26,28-58,66-82H,11-24H2,1-9H3/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+,58+,62+,63?,64-,65+/m1/s1