Glycoside
GD114443
Name:
2-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]peroxy}phenyl)-5,7-dihydroxy-4H-chromen-4-oneFormula:
C23H24O13Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1OOC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1OOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 508.43 | Num_heavy_atoms: | 36 |
| TPSA: | 197.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD45059
Formula: C17H14O8
Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1OO| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.29 | Num_heavy_atoms: | 25 |
| TPSA: | 118.59 | NumAromaticRings: | 3 |
