Glycoside
GD118790
Name:
2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C29H36O15Smiles:
COc1ccc(C2CC(=O)c3c(cc(O)c(C4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)c3O)O2)cc1OCAglycone:
COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1OCSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 624.59 | Num_heavy_atoms: | 44 |
| TPSA: | 234.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD06016
Formula: C17H16O6
Smiles:
COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1OC| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.31 | Num_heavy_atoms: | 23 |
| TPSA: | 85.22 | NumAromaticRings: | 2 |
