Glycoside
GD118191
Name:
Tetrahydroaldosterone-3-GlucuronideFormula:
C27H40O11Smiles:
CC12CCC(OC3OC(C(=O)O)C(O)C(O)C3O)CC1CCC1C2C2CC3(C(O)O2)C(C(=O)CO)CCC13Aglycone:
CC12CCC(O)CC1CCC1C2C2CC3(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: | 6 | FractionCSP3: | 0.93 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 540.61 | Num_heavy_atoms: | 38 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD47233
Formula: C21H32O5
Smiles:
CC12CCC(O)CC1CCC1C2C2CC3(C(O)O2)C(C(=O)CO)CCC13| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 364.48 | Num_heavy_atoms: | 26 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
