Glycoside
GD132952
Name:
2-Methoxy-17Beta-Estradiol 3-O-(Beta-D-Glucuronide)Formula:
C25H34O9Smiles:
COc1cc2c(cc1OC1OC(C(=O)O)C(O)C(O)C1O)CCC1C2CCC2(C)C(O)CCC12Aglycone:
COc1cc2c(cc1O)CCC1C2CCC2(C)C(O)CCC12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 478.54 | Num_heavy_atoms: | 34 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD53824
Formula: C19H26O3
Smiles:
COc1cc2c(cc1O)CCC1C2CCC2(C)C(O)CCC12| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.68 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.41 | Num_heavy_atoms: | 22 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
