Glycoside
GD115460
Name:
Estriol 3-Sulfate 16-GlucuronideFormula:
C24H32O12SSmiles:
CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CC(OC1OC(C(=O)O)C(O)C(O)C1O)C2OAglycone:
CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CC(O)C2OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 544.58 | Num_heavy_atoms: | 37 |
| TPSA: | 200.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD45679
Formula: C18H24O6S
Smiles:
CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CC(O)C2O| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 368.45 | Num_heavy_atoms: | 25 |
| TPSA: | 104.06 | NumAromaticRings: | 1 |
