Glycoside
GD099929
Name:
2-{[3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C23H28O10Smiles:
COc1ccc([C@H]2COc3cc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)ccc3C2)c(O)c1OCAglycone:
COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.47 | Num_heavy_atoms: | 33 |
| TPSA: | 147.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD42315
Formula: C17H18O5
Smiles:
COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1OC| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.33 | Num_heavy_atoms: | 22 |
| TPSA: | 68.15 | NumAromaticRings: | 2 |
