Glycoside
GD119498
Name:
4-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-(3-methylbut-2-en-1-yl)benzoic acidFormula:
C23H32O12Smiles:
CC(C)=CCc1cc(C(=O)O)ccc1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1OAglycone:
CC(C)=CCc1cc(C(=O)O)ccc1OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.61 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 9 |
| MolWt: | 500.5 | Num_heavy_atoms: | 35 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD47888
Formula: C12H14O3
Smiles:
CC(C)=CCc1cc(C(=O)O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 206.24 | Num_heavy_atoms: | 15 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
