Glycoside
GD138486
Name:
Cortolone-3-GlucuronideFormula:
C27H42O11Smiles:
CC12CC(OC3OC(C(=O)O)C(O)C(O)C3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)COAglycone:
CC12CC(O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)COSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 542.62 | Num_heavy_atoms: | 38 |
| TPSA: | 194.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD55894
Formula: C21H34O5
Smiles:
CC12CC(O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 366.5 | Num_heavy_atoms: | 26 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
