Glycoside
GD104190
Name:
Stanolone GlucuronateFormula:
C25H38O8Smiles:
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@H]12Aglycone:
CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 466.57 | Num_heavy_atoms: | 33 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD43975
Formula: C19H30O2
Smiles:
CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 0 |
| MolWt: | 290.45 | Num_heavy_atoms: | 21 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
