Glycoside
GD135644
Name:
4-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-[(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-oneFormula:
C31H40O16Smiles:
COc1cc(CC2C(=O)OCC2c2ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(CC2C(=O)OCC2c2ccc(O)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.58 |
| AlogP: | -2.44 | Num_rotatable_bonds: | 11 |
| MolWt: | 668.65 | Num_heavy_atoms: | 47 |
| TPSA: | 243.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD54852
Formula: C19H20O6
Smiles:
COc1cc(CC2C(=O)OCC2c2ccc(O)c(OC)c2)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 344.36 | Num_heavy_atoms: | 25 |
| TPSA: | 85.22 | NumAromaticRings: | 2 |
