Glycoside
GD038910
Name:
Estrone GlucuronideFormula:
C24H30O8Smiles:
C[C@@]12CC[C@@H]3c4ccc(O[C@H]5O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]5O)cc4CC[C@H]3[C@H]1CCC2=OAglycone:
CC12CCC3c4ccc(O)cc4CCC3C1CCC2=OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 446.5 | Num_heavy_atoms: | 32 |
| TPSA: | 133.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD18025
Formula: C18H22O2
Smiles:
CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.61 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 0 |
| MolWt: | 270.37 | Num_heavy_atoms: | 20 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
