Glycoside
GD122972
Name:
2-[3-(3-hydroxy-4-{[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}phenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C25H34O11Smiles:
COc1cc(CC(CO)Oc2ccc(CCCOC3OC(CO)C(O)C(O)C3O)cc2O)ccc1OAglycone:
COc1cc(CC(CO)Oc2ccc(CCCO)cc2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 12 |
| MolWt: | 510.54 | Num_heavy_atoms: | 36 |
| TPSA: | 178.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD49599
Formula: C19H24O6
Smiles:
COc1cc(CC(CO)Oc2ccc(CCCO)cc2O)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 9 |
| MolWt: | 348.4 | Num_heavy_atoms: | 25 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
