Glycoside
GD144632
Name:
Khaephuoside AFormula:
C20H30O13Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O)cc(OC)c1OCAglycone:
COc1cc(O)cc(OC)c1OCSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.7 |
| AlogP: | -2.64 | Num_rotatable_bonds: | 9 |
| MolWt: | 478.45 | Num_heavy_atoms: | 33 |
| TPSA: | 185.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD07763
Formula: C9H12O4
Smiles:
COc1cc(O)cc(OC)c1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 47.92 | NumAromaticRings: | 1 |
