Glycoside
GD129900
Name:
(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 4-hydroxy-3-methoxybenzoateFormula:
C22H26O11Smiles:
COc1cc(C(=O)OCc2ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)ccc1OAglycone:
COc1cc(COC(=O)c2ccc(O)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 466.44 | Num_heavy_atoms: | 33 |
| TPSA: | 164.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD52625
Formula: C16H16O6
Smiles:
COc1cc(COC(=O)c2ccc(O)c(OC)c2)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 85.22 | NumAromaticRings: | 2 |
