Glycoside
GD153042
Name:
4-[(3,4-dihydroxy-4-methoxyoxolan-2-yl)oxy]-2-(hydroxymethyl)-6-[4-(3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenoxy]oxane-3,5-diolFormula:
C22H32O13Smiles:
COc1cc(C=CCO)cc(OC)c1OC1OC(CO)C(O)C(OC2OCC(O)(OC)C2O)C1OAglycone:
COc1cc(C=CCO)cc(OC)c1OSugarmoiety:
COC1(O)COC(OC2C(O)C(O)OC(CO)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 10 |
| MolWt: | 504.49 | Num_heavy_atoms: | 35 |
| TPSA: | 185.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD05747
Formula: C11H14O4
Smiles:
COc1cc(C=CCO)cc(OC)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 210.23 | Num_heavy_atoms: | 15 |
| TPSA: | 58.92 | NumAromaticRings: | 1 |
