Glycoside
GD120445
Name:
5-{[3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-2,3,4,5-tetrahydroxypentanalFormula:
C21H20O12Smiles:
COc1ccc(-c2oc3cc(OC(O)C(O)C(O)C(O)C=O)cc(O)c3c(=O)c2O)cc1OAglycone:
COc1ccc(-c2oc3cccc(O)c3c(=O)c2O)cc1OSugarmoiety:
O=CC(O)C(O)C(O)C(O)OOOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.24 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 464.38 | Num_heavy_atoms: | 33 |
| TPSA: | 207.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD48388
Formula: C16H12O6
Smiles:
COc1ccc(-c2oc3cccc(O)c3c(=O)c2O)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
