Glycoside
GD119628
Name:
6-methoxy-2-(4-methoxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-5-yl acetateFormula:
C31H36O16Smiles:
COc1ccc(-c2cc(=O)c3c(OC(C)=O)c(OC)c(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(OC(C)=O)c(OC)c(O)cc3o2)cc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 664.61 | Num_heavy_atoms: | 47 |
| TPSA: | 233.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD47965
Formula: C19H16O7
Smiles:
COc1ccc(-c2cc(=O)c3c(OC(C)=O)c(OC)c(O)cc3o2)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.16 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 356.33 | Num_heavy_atoms: | 26 |
| TPSA: | 95.2 | NumAromaticRings: | 3 |
