Glycoside
GD123744
Name:
7-[(6-{[(3,4-dihydroxy-4-methoxyoxolan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-6-methoxy-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C30H38O16Smiles:
COc1cc(OC)c(C2COc3cc(OC4OC(COC5OCC(O)(OC)C5O)C(O)C(O)C4O)c(OC)cc3C2=O)cc1OCAglycone:
COc1cc2c(cc1O)OCC(c1cc(OC)c(OC)cc1OC)C2=OSugarmoiety:
COC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 11 |
| MolWt: | 654.62 | Num_heavy_atoms: | 46 |
| TPSA: | 210.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD49957
Formula: C19H20O7
Smiles:
COc1cc2c(cc1O)OCC(c1cc(OC)c(OC)cc1OC)C2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.32 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 360.36 | Num_heavy_atoms: | 26 |
| TPSA: | 83.45 | NumAromaticRings: | 2 |
