(2S,4S,6R)-2-[6-[1-[10,13-dimethyl-3,16-bis(oxidanyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-oxidanyl-ethyl]-1,3-dimethyl-piperidin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Systemtic Name: (2S,4S,6R)-2-[6-[1-[10,13-dimethyl-3,16-bis(oxidanyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-oxidanyl-ethyl]-1,3-dimethyl-piperidin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Openeye Name: (2S,4S,6R)-2-[[6-[1-(3,16-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-hydroxy-ethyl]-1,3-dimethyl-3-piperidyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: (2S,4S,6R)-2-[[6-[1-(3,16-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-hydroxyethyl]-1,3-dimethyl-3-piperidinyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: (2S,4S,6R)-2-[6-[1-(3,16-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-hydroxyethyl]-1,3-dimethylpiperidin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: (2S,4S,6R)-2-[[6-[1-(3,16-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-hydroxy-ethyl]-1,3-dimethyl-3-piperidyl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol Formula: C34H57NO9 MolecularWeight: 623.81768

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(N(C1)C)C(C)(C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C)O)O)OC6C(C(C(C(O6)CO)O)O)O

Isomeric SMILES

CC1(CCC(N(C1)C)C(C)(C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C)O)O)O[C@H]6C([C@H](C([C@H](O6)CO)O)O)O

InChI

InChI=1S/C34H57NO9/c1-31(44-30-28(41)27(40)26(39)24(16-36)43-30)11-10-25(35(5)17-31)34(4,42)29-23(38)15-22-20-7-6-18-14-19(37)8-12-32(18,2)21(20)9-13-33(22,29)3/h6,19-30,36-42H,7-17H2,1-5H3/t19?,20?,21?,22?,23?,24-,25?,26?,27+,28?,29?,30+,31?,32?,33?,34?/m1/s1