(2R,3R,4S,5S,6R)-2-[[(1S,2S,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-2-oxidanyl-1-(2-oxidanylpropan-2-yl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Systemtic Name: (2R,3R,4S,5S,6R)-2-[[(1S,2S,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-2-oxidanyl-1-(2-oxidanylpropan-2-yl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol Openeye Name: (2R,3R,4S,5S,6R)-2-[[(1S,2S,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-2-hydroxy-3a-(hydroxymethyl)-1-(1-hydroxy-1-methyl-ethyl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: (2R,3R,4S,5S,6R)-2-[[(1S,2S,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-2-hydroxy-3a-(hydroxymethyl)-1-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(1S,2S,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-2-hydroxy-3a-(hydroxymethyl)-1-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: (2R,3R,4S,5S,6R)-2-[[(1S,2S,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-2-hydroxy-1-(1-hydroxy-1-methyl-ethyl)-5a,5b,8,8,11a-pentamethyl-3a-methylol-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol Formula: C36H62O9 MolecularWeight: 638.87208

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)CO)O)O)O)C)CCC5C3(CCC6(C5C(C(C6)O)C(C)(C)O)CO)C)C)C

Isomeric SMILES

C[C@@]12CC[C@]3(C[C@@H]([C@H]([C@@H]3[C@H]1CC[C@H]4[C@]2(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)C(C)(C)O)O)CO

InChI

InChI=1S/C36H62O9/c1-31(2)22-10-13-35(7)23(33(22,5)12-11-24(31)45-30-29(42)28(41)27(40)21(17-37)44-30)9-8-19-25-26(32(3,4)43)20(39)16-36(25,18-38)15-14-34(19,35)6/h19-30,37-43H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24+,25+,26-,27-,28+,29-,30+,33+,34-,35-,36+/m1/s1