Glycoside
GD132164
Name:
2-{[3-(4-{[1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)prop-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C28H38O14Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C=CCOC3OC(CO)C(O)C(O)C3O)cc2OC)cc(OC)c1OAglycone:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C=CCO)cc2OC)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 14 |
| MolWt: | 598.6 | Num_heavy_atoms: | 42 |
| TPSA: | 206.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD48922
Formula: C22H28O9
Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C=CCO)cc2OC)cc(OC)c1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 11 |
| MolWt: | 436.46 | Num_heavy_atoms: | 31 |
| TPSA: | 127.07 | NumAromaticRings: | 2 |
