Glycoside
GD120742
Name:
Pteroside QFormula:
C20H28O9Smiles:
Cc1cc2c(c(C)c1C(O)CO)C(=O)C(C)C2OC1OC(CO)C(O)C(O)C1OAglycone:
Cc1cc2c(c(C)c1C(O)CO)C(=O)C(C)C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.44 | Num_heavy_atoms: | 29 |
| TPSA: | 156.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD48538
Formula: C14H18O4
Smiles:
Cc1cc2c(c(C)c1C(O)CO)C(=O)C(C)C2O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 250.29 | Num_heavy_atoms: | 18 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
