Glycoside
GD134969
Name:
2-[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H34O12Smiles:
COc1cc(C(OC2OC(CO)C(O)C(O)C2O)C(CO)Oc2ccc(C=CCO)cc2OC)ccc1OAglycone:
COc1cc(C(O)C(CO)Oc2ccc(C=CCO)cc2OC)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 12 |
| MolWt: | 538.55 | Num_heavy_atoms: | 38 |
| TPSA: | 187.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD14985
Formula: C20H24O7
Smiles:
COc1cc(C(O)C(CO)Oc2ccc(C=CCO)cc2OC)ccc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 9 |
| MolWt: | 376.41 | Num_heavy_atoms: | 27 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
