Glycoside
GD025436
Name:
ESTRADIOL GLUCURONIDE SULFATEFormula:
C24H32O11SSmiles:
C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@H]1CC[C@H]2O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 528.58 | Num_heavy_atoms: | 36 |
| TPSA: | 180.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD16865
Formula: C18H24O5S
Smiles:
CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2O| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 352.45 | Num_heavy_atoms: | 24 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
