Glycoside
GD117563
Name:
3-[hydroxy(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]-2-[(4-hydroxy-3-methoxyphenyl)methyl]cyclopentan-1-oneFormula:
C27H34O11Smiles:
COc1cc(CC2C(=O)CCC2C(O)c2ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)ccc1OAglycone:
COc1cc(CC2C(=O)CCC2C(O)c2ccc(O)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 9 |
| MolWt: | 534.56 | Num_heavy_atoms: | 38 |
| TPSA: | 175.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD46886
Formula: C21H24O6
Smiles:
COc1cc(CC2C(=O)CCC2C(O)c2ccc(O)c(OC)c2)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 372.42 | Num_heavy_atoms: | 27 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
