Glycoside
GD144891
Name:
2-(4-hydroxyphenoxy)-6-({[3-(4-hydroxyphenyl)prop-2-en-1-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C21H24O8Smiles:
Oc1ccc(C=CCOCC2OC(Oc3ccc(O)cc3)C(O)C(O)C2O)cc1Aglycone:
COCC=Cc1ccc(O)cc1.Oc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 404.42 | Num_heavy_atoms: | 29 |
| TPSA: | 128.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD00519
Formula: C6H6O2
Smiles:
Oc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.11 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD02642
Formula: C10H12O2
Smiles:
COCC=Cc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 164.2 | Num_heavy_atoms: | 12 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
