Glycoside
GD149401
Name:
2-[4-(3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenoxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C23H34O13Smiles:
COc1cc(C=CCO)cc(OC)c1OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COc1cc(C=CCO)cc(OC)c1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 9 |
| MolWt: | 518.51 | Num_heavy_atoms: | 36 |
| TPSA: | 196.99 | 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 |
