Glycoside
GD157798
Name:
4-(acetyloxy)-2-{[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-6-hydroperoxy-5-hydroxyoxan-3-yl acetateFormula:
C26H26O16Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(OO)C(O)C(OC(C)=O)C2OC(C)=O)cc(OC)c1OAglycone:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1OSugarmoiety:
CC(=O)OC1C(O)OC(OO)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 594.48 | Num_heavy_atoms: | 42 |
| TPSA: | 230.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD09324
Formula: C17H14O8
Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.29 | Num_heavy_atoms: | 25 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
