Glycoside
GD157941
Name:
{4-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3,5-dihydroxyoxolan-2-yl}methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C26H36O17Smiles:
COc1cc(C=CC(=O)OCC2OC(O)C(OC3OCC(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1Sugarmoiety:
OCC1OC(OC2C(OC3C(O)OC(O)C3O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.65 |
| AlogP: | -4.32 | Num_rotatable_bonds: | 10 |
| MolWt: | 620.56 | Num_heavy_atoms: | 43 |
| TPSA: | 263.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
