Glycoside
GD141230
Name:
5-hydroxy-3-(2-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-6-(3-methylbut-2-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C32H40O16Smiles:
CC(C)=CCc1c(OC2OC(CO)C(O)C(O)C2O)cc2c(c1O)C(=O)C(c1ccc(OC3OC(CO)C(O)C(O)C3O)cc1O)CO2Aglycone:
CC(C)=CCc1c(O)cc2c(c1O)C(=O)C(c1ccc(O)cc1O)CO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.53 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 680.66 | Num_heavy_atoms: | 48 |
| TPSA: | 265.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD49109
Formula: C20H20O6
Smiles:
CC(C)=CCc1c(O)cc2c(c1O)C(=O)C(c1ccc(O)cc1O)CO2| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 356.37 | Num_heavy_atoms: | 26 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
