Glycoside
GD133013
Name:
methyl 3-ethenyl-4-(2-methoxy-2-oxoethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)-6-methyloxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C19H28O11Smiles:
C=CC1C(OC2OC(C)(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)OCSugarmoiety:
CC1(CO)OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 432.42 | Num_heavy_atoms: | 30 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD17399
Formula: C12H16O6
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)OC| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 256.25 | Num_heavy_atoms: | 18 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
