Glycoside
GD147622
Name:
3'-O-Beta-Glucopyranosyl Plumbagic AcidFormula:
C17H22O10Smiles:
CC(CC(=O)O)C(=O)c1cccc(OC2OC(CO)C(O)C(O)C2O)c1OAglycone:
CC(CC(=O)O)C(=O)c1cccc(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 386.35 | Num_heavy_atoms: | 27 |
| TPSA: | 173.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD59111
Formula: C11H12O5
Smiles:
CC(CC(=O)O)C(=O)c1cccc(O)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 224.21 | Num_heavy_atoms: | 16 |
| TPSA: | 94.83 | NumAromaticRings: | 1 |
