Glycoside
GD127655
Name:
Pteroside XFormula:
C21H30O9Smiles:
Cc1c(CCOC2OC(CO)C(O)C(O)C2O)c(CO)cc2c1C(=O)C(C)(C)C2OAglycone:
Cc1c(CCO)c(CO)cc2c1C(=O)C(C)(C)C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 426.46 | Num_heavy_atoms: | 30 |
| TPSA: | 156.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD51694
Formula: C15H20O4
Smiles:
Cc1c(CCO)c(CO)cc2c1C(=O)C(C)(C)C2O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
