Glycoside
GD140767
Name:
5-{[6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(2,4-dimethoxyphenyl)-7-methoxy-8-methyl-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C37H50O20Smiles:
COc1ccc(C2CC(=O)c3c(OC4OC(COC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5O)C(O)C(O)C4O)cc(OC)c(C)c3O2)c(OC)c1Aglycone:
COc1ccc(C2CC(=O)c3c(O)cc(OC)c(C)c3O2)c(OC)c1Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.65 |
| AlogP: | -2.42 | Num_rotatable_bonds: | 12 |
| MolWt: | 814.79 | Num_heavy_atoms: | 57 |
| TPSA: | 291.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD56752
Formula: C19H20O6
Smiles:
COc1ccc(C2CC(=O)c3c(O)cc(OC)c(C)c3O2)c(OC)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.32 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 344.36 | Num_heavy_atoms: | 25 |
| TPSA: | 74.22 | NumAromaticRings: | 2 |
