Glycoside
GD158051
Name:
3'-O-Beta-Glucopyranosyl Plumbagic Acid Methyl EsterFormula:
C18H24O10Smiles:
COC(=O)CC(C)C(=O)c1cccc(OC2OC(CO)C(O)C(O)C2O)c1OAglycone:
COC(=O)CC(C)C(=O)c1cccc(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 400.38 | Num_heavy_atoms: | 28 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD62416
Formula: C12H14O5
Smiles:
COC(=O)CC(C)C(=O)c1cccc(O)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
