Glycoside
GD135552
Name:
2-[(6-{[7-(1,6-dimethyl-octahydroindolizin-2-yl)-4a,7-dimethyl-8-methylidene-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydrophenanthren-2-yl]oxy}-4,5-dihydroxyoxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C38H61O10NSmiles:
C=C1C2CC=C3CC(OC4OCC(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)CCC3(C)C2CCC1(C)C1CN2CC(C)CCC2C1CAglycone:
C=C1C2CC=C3CC(O)CCC3(C)C2CCC1(C)C1CN2CC(C)CCC2C1CSugarmoiety:
OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 691.9 | Num_heavy_atoms: | 49 |
| TPSA: | 161.54 | NumAromaticRings: | 0 |
Unique Aglycone
AD54807
Formula: C27H43ON
Smiles:
C=C1C2CC=C3CC(O)CCC3(C)C2CCC1(C)C1CN2CC(C)CCC2C1C| HBA: | 2 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 5.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 397.65 | Num_heavy_atoms: | 29 |
| TPSA: | 23.47 | NumAromaticRings: | 0 |
