Glycoside
GD021965
Name:
ESTRADIOL 17B GLUCURONIDEFormula:
C24H32O8Smiles:
C[C@@]12CC[C@@H]3c4ccc(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(O)cc4CCC3C1CCC2OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 448.51 | Num_heavy_atoms: | 32 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD14946
Formula: C18H24O2
Smiles:
CC12CCC3c4ccc(O)cc4CCC3C1CCC2O| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 0 |
| MolWt: | 272.39 | Num_heavy_atoms: | 20 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
