Glycoside
GD133403
Name:
Pteroside TFormula:
C20H28O9Smiles:
Cc1c(CCOC2OC(CO)C(O)C(O)C2O)c(CO)cc2c1C(=O)C(C)C2OAglycone:
Cc1c(CCO)c(CO)cc2c1C(=O)C(C)C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 412.44 | Num_heavy_atoms: | 29 |
| TPSA: | 156.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD53999
Formula: C14H18O4
Smiles:
Cc1c(CCO)c(CO)cc2c1C(=O)C(C)C2O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 250.29 | Num_heavy_atoms: | 18 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
