Glycoside
GD150652
Name:
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-carboxylic acidFormula:
C21H30O11Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CCOC(=O)C(C)=CCAglycone:
C=CC1C(O)OC=C(C(=O)O)C1CCOC(=O)C(C)=CCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 458.46 | Num_heavy_atoms: | 32 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD60154
Formula: C15H20O6
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1CCOC(=O)C(C)=CC| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 296.32 | Num_heavy_atoms: | 21 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
