Glycoside
GD104758
Name:
Pregnanediol-3-GlucuronideFormula:
C27H44O8Smiles:
C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[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@]4(C)[C@H]3CC[C@]12CAglycone:
CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.96 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 496.64 | Num_heavy_atoms: | 35 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD44006
Formula: C21H36O2
Smiles:
CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 4.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 320.52 | Num_heavy_atoms: | 23 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
