Glycoside
GD147663
Name:
2-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-6-yl 4-methoxybenzoateFormula:
C32H32O15Smiles:
COc1ccc(C(=O)Oc2c(OC)cc3oc(-c4cc(OC)c(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)cc(=O)c3c2O)cc1Aglycone:
COc1ccc(C(=O)Oc2c(OC)cc3oc(-c4cc(OC)c(O)c(OC)c4)cc(=O)c3c2O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 656.59 | Num_heavy_atoms: | 47 |
| TPSA: | 213.04 | NumAromaticRings: | 4 |
Unique Aglycone
AD59128
Formula: C26H22O10
Smiles:
COc1ccc(C(=O)Oc2c(OC)cc3oc(-c4cc(OC)c(O)c(OC)c4)cc(=O)c3c2O)cc1| HBA: | 10 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 494.45 | Num_heavy_atoms: | 36 |
| TPSA: | 133.89 | NumAromaticRings: | 4 |
