Glycoside
GD138630
Name:
Aldosterone 18-GlucuronideFormula:
C27H36O11Smiles:
CC12CCC(=O)C=C1CCC1C2C2CC3(C(OC4OC(C(=O)O)C(O)C(O)C4O)O2)C(C(=O)CO)CCC13Aglycone:
CC12CCC(=O)C=C1CCC1C2C2CC3(C(O)O2)C(C(=O)CO)CCC13Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 536.57 | Num_heavy_atoms: | 38 |
| TPSA: | 180.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD55940
Formula: C21H28O5
Smiles:
CC12CCC(=O)C=C1CCC1C2C2CC3(C(O)O2)C(C(=O)CO)CCC13| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 360.45 | Num_heavy_atoms: | 26 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
