(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-[[10-(hydroxymethyl)-4,4,8,14-tetramethyl-17-[5-methyl-1-[(2R,3R,4R,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2R,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-hex-4-enyl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol

Systemtic Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-[[10-(hydroxymethyl)-4,4,8,14-tetramethyl-17-[5-methyl-1-[(2R,3R,4R,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2R,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-hex-4-enyl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol Openeye Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[10-(hydroxymethyl)-4,4,8,14-tetramethyl-17-[5-methyl-1-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-hex-4-enyl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: (2S,3R,4S,5S,6R)-2-[[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[10-(hydroxymethyl)-4,4,8,14-tetramethyl-17-[5-methyl-1-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxymethyl]-2-oxanyl]oxy]hex-4-enyl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[10-(hydroxymethyl)-4,4,8,14-tetramethyl-17-[5-methyl-1-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhex-4-enyl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-methylol-2-[[4,4,8,14-tetramethyl-10-methylol-17-[5-methyl-1-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-hex-4-enyl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol Formula: C52H88O22 MolecularWeight: 1065.24192

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C1CCC2(C1CCC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)CO)C)C)OC7C(C(C(C(O7)COC8C(C(C(CO8)O)O)O)O)O)O)C

Isomeric SMILES

CC(=CCCC(C1CCC2(C1CCC3C2(CCC4C3(CCC(C4(C)C)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)CO)C)C)O[C@H]7[C@@H]([C@@H]([C@@H]([C@H](O7)CO[C@@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O)O)C

InChI

InChI=1S/C52H88O22/c1-23(2)8-7-9-27(69-46-42(65)39(62)37(60)30(72-46)21-68-45-41(64)34(57)26(56)20-67-45)24-12-15-50(5)25(24)10-11-32-51(50,6)16-13-31-49(3,4)33(14-17-52(31,32)22-55)73-48-44(40(63)36(59)29(19-54)71-48)74-47-43(66)38(61)35(58)28(18-53)70-47/h8,24-48,53-66H,7,9-22H2,1-6H3/t24?,25?,26-,27?,28-,29-,30-,31?,32?,33?,34+,35-,36-,37-,38+,39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,50?,51?,52?/m1/s1