(2R,3R,4S,5S,6R)-2-[[(3S,4aR,5R,6aR,6bS,8S,8aS,10S,11S,12R,12aS,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-5,8,10-tris(oxidanyl)-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Systemtic Name: (2R,3R,4S,5S,6R)-2-[[(3S,4aR,5R,6aR,6bS,8S,8aS,10S,11S,12R,12aS,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-5,8,10-tris(oxidanyl)-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol Openeye Name: (2R,3R,4S,5S,6R)-2-[[(3S,4aR,5R,6aR,6bS,8S,8aS,10S,11S,12R,12aS,14aR,14bR)-5,8,10-trihydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: (2R,3R,4S,5S,6R)-2-[[(3S,4aR,5R,6aR,6bS,8S,8aS,10S,11S,12R,12aS,14aR,14bR)-5,8,10-trihydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(3S,4aR,5R,6aR,6bS,8S,8aS,10S,11S,12R,12aS,14aR,14bR)-5,8,10-trihydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: (2R,3R,4S,5S,6R)-2-[[(3S,4aR,5R,6aR,6bS,8S,8aS,10S,11S,12R,12aS,14aR,14bR)-5,8,10-trihydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol Formula: C36H60O9 MolecularWeight: 636.8562

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2C3=CCC4C5(CCC(C(C5C(CC4(C3(CC(C2(CC1O)C)O)C)C)O)(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)C

Isomeric SMILES

C[C@H]1[C@@H]([C@H]2C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5[C@@H](C[C@]4([C@@]3(C[C@@H]([C@]2(C[C@@H]1O)C)O)C)C)O)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C

InChI

InChI=1S/C36H60O9/c1-17-18(2)26-19-9-10-23-33(5)12-11-25(45-31-29(43)28(42)27(41)22(16-37)44-31)32(3,4)30(33)21(39)14-36(23,8)35(19,7)15-24(40)34(26,6)13-20(17)38/h9,17-18,20-31,37-43H,10-16H2,1-8H3/t17-,18-,20-,21+,22+,23+,24-,25-,26-,27+,28-,29+,30-,31-,33+,34+,35+,36+/m0/s1