Glycoside
GD154095
Name:
2-(4-{1-hydroxy-2-[4-(3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenoxy]propyl}-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C28H38O13Smiles:
COc1cc(C=CCO)cc(OC)c1OC(C)C(O)c1cc(OC)c(OC2OC(CO)C(O)C(O)C2O)c(OC)c1Aglycone:
COc1cc(C(O)C(C)Oc2c(OC)cc(C=CCO)cc2OC)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 13 |
| MolWt: | 582.6 | Num_heavy_atoms: | 41 |
| TPSA: | 185.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD61246
Formula: C22H28O8
Smiles:
COc1cc(C(O)C(C)Oc2c(OC)cc(C=CCO)cc2OC)cc(OC)c1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 10 |
| MolWt: | 420.46 | Num_heavy_atoms: | 30 |
| TPSA: | 106.84 | NumAromaticRings: | 2 |
