Glycoside
GD132149
Name:
methyl 3-ethenyl-4-{2-[(2-methylbut-2-enoyl)oxy]ethyl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C22H32O11Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C(C)=CCAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CCOC(=O)C(C)=CCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 472.49 | Num_heavy_atoms: | 33 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD53501
Formula: C16H22O6
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CCOC(=O)C(C)=CC| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 310.35 | Num_heavy_atoms: | 22 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
