Glycoside
GD136976
Name:
Gamma-Cehc Beta-GlucuronideFormula:
C21H28O10Smiles:
Cc1c(OC2OC(C(=O)O)C(O)C(O)C2O)cc2c(c1C)OC(C)(CCC(=O)O)CC2Aglycone:
Cc1c(O)cc2c(c1C)OC(C)(CCC(=O)O)CC2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 440.45 | Num_heavy_atoms: | 31 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD55356
Formula: C15H20O4
Smiles:
Cc1c(O)cc2c(c1C)OC(C)(CCC(=O)O)CC2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
