Glycoside
GD117498
Name:
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-8-yl 3,4,5,6-tetrahydroxyoxane-2-carboxylateFormula:
C22H20O13Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(O)c(OC(=O)C4OC(O)C(O)C(O)C4O)c3o2)ccc1OAglycone:
COc1cc(-c2cc(=O)c3c(O)cc(O)c(OC=O)c3o2)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.27 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 492.39 | Num_heavy_atoms: | 35 |
| TPSA: | 216.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD46854
Formula: C17H12O8
Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(O)c(OC=O)c3o2)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 344.28 | Num_heavy_atoms: | 25 |
| TPSA: | 126.43 | NumAromaticRings: | 3 |
