Glycoside
GD125400
Name:
2-[4-hydroxy-5-(14-hydroxy-3,7,11-trimethyltetradeca-2,6,10-trien-1-yl)-2,3-dimethylphenoxy]oxane-3,4,5-triolFormula:
C30H46O7Smiles:
CC(=CCCC(C)=CCc1cc(OC2OCC(O)C(O)C2O)c(C)c(C)c1O)CCC=C(C)CCCOAglycone:
CC(=CCCC(C)=CCc1cc(O)c(C)c(C)c1O)CCC=C(C)CCCOSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | 4.54 | Num_rotatable_bonds: | 13 |
| MolWt: | 518.69 | Num_heavy_atoms: | 37 |
| TPSA: | 119.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD50713
Formula: C25H38O3
Smiles:
CC(=CCCC(C)=CCc1cc(O)c(C)c(C)c1O)CCC=C(C)CCCO| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | 6.43 | Num_rotatable_bonds: | 11 |
| MolWt: | 386.58 | Num_heavy_atoms: | 28 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
