Glycoside
GD146910
Name:
2-{4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,2-b]furan-2-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C28H36O13Smiles:
COc1cc(C2CC3OC(c4cc(OC)c(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)CC3O2)cc(OC)c1OAglycone:
COc1cc(C2CC3OC(c4cc(OC)c(O)c(OC)c4)CC3O2)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 9 |
| MolWt: | 580.58 | Num_heavy_atoms: | 41 |
| TPSA: | 174.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD58866
Formula: C22H26O8
Smiles:
COc1cc(C2CC3OC(c4cc(OC)c(O)c(OC)c4)CC3O2)cc(OC)c1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.44 | Num_heavy_atoms: | 30 |
| TPSA: | 95.84 | NumAromaticRings: | 2 |
