Glycoside
GD134845
Name:
(25R)-6Alpha-Hydroxy-5Alpha-Spirostan-3Beta-Yl Beta-D-GlucopyranosideFormula:
C33H54O9Smiles:
CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 594.79 | Num_heavy_atoms: | 42 |
| TPSA: | 138.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD01515
Formula: C27H44O4
Smiles:
CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 4.76 | Num_rotatable_bonds: | 0 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
