Glycoside
GD129491
Name:
7-[(7-methoxy-2-oxo-2H-chromen-3-yl)oxy]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-oneFormula:
C25H22O12Smiles:
COc1ccc2cc(Oc3cc4oc(=O)ccc4cc3OC3OC(CO)C(O)C(O)C3O)c(=O)oc2c1Aglycone:
COc1ccc2cc(Oc3cc4oc(=O)ccc4cc3O)c(=O)oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 514.44 | Num_heavy_atoms: | 37 |
| TPSA: | 178.26 | NumAromaticRings: | 4 |
Unique Aglycone
AD52454
Formula: C19H12O7
Smiles:
COc1ccc2cc(Oc3cc4oc(=O)ccc4cc3O)c(=O)oc2c1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 352.3 | Num_heavy_atoms: | 26 |
| TPSA: | 99.11 | NumAromaticRings: | 4 |
