Glycoside
GD125700
Name:
Torvpregnanoside BFormula:
C32H50O11Smiles:
CC(=O)C1=CCC2C3CC(OC4OC(C)C(O)C(OC5OCC(O)C(O)C5O)C4O)C4CC(O)CCC4(C)C3CCC12CAglycone:
CC(=O)C1=CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
CC1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 610.74 | Num_heavy_atoms: | 43 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD50845
Formula: C21H32O3
Smiles:
CC(=O)C1=CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 332.48 | Num_heavy_atoms: | 24 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
