Glycoside
GD121357
Name:
3-[(6-hydroperoxy-3,4,5-trihydroxyoxan-2-yl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-chromen-4-oneFormula:
C22H22O14Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(OO)C(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1OSugarmoiety:
OOC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 510.4 | Num_heavy_atoms: | 36 |
| TPSA: | 217.97 | 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 |
