Glycoside
GD099743
Name:
11-Beta-Hydroxyandrosterone-3-GlucuronideFormula:
C25H38O9Smiles:
C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@H]4C[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]43C)[C@@H]1CCC2=OAglycone:
CC12CC(O)C3C(CCC4CC(O)CCC43C)C1CCC2=OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 482.57 | Num_heavy_atoms: | 34 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD42313
Formula: C19H30O3
Smiles:
CC12CC(O)C3C(CCC4CC(O)CCC43C)C1CCC2=O| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 306.45 | Num_heavy_atoms: | 22 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
