Glycoside
GD116430
Name:
14-{2-hydroxy-3,4-dimethyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}-4,8,12-trimethyltetradeca-4,8,12-trienoic acidFormula:
C30H44O8Smiles:
CC(=CCCC(C)=CCc1cc(OC2OCC(O)C(O)C2O)c(C)c(C)c1O)CCC=C(C)CCC(=O)OAglycone:
CC(=CCCC(C)=CCc1cc(O)c(C)c(C)c1O)CCC=C(C)CCC(=O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | 4.63 | Num_rotatable_bonds: | 13 |
| MolWt: | 532.67 | Num_heavy_atoms: | 38 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD46229
Formula: C25H36O4
Smiles:
CC(=CCCC(C)=CCc1cc(O)c(C)c(C)c1O)CCC=C(C)CCC(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 6.52 | Num_rotatable_bonds: | 11 |
| MolWt: | 400.56 | Num_heavy_atoms: | 29 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
