Glycoside
GD141010
Name:
2-{[6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-3-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H36O14Smiles:
COc1cc(C2c3c(cc(OC)c(O)c3OC)OC(CO)C2COC2OC(CO)C(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(C2c3c(cc(OC)c(O)c3OC)OC(CO)C2CO)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 10 |
| MolWt: | 584.57 | Num_heavy_atoms: | 41 |
| TPSA: | 206.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD56839
Formula: C21H26O9
Smiles:
COc1cc(C2c3c(cc(OC)c(O)c3OC)OC(CO)C2CO)cc(OC)c1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 422.43 | Num_heavy_atoms: | 30 |
| TPSA: | 127.07 | NumAromaticRings: | 2 |
