Glycoside
GD031289
Name:
Bartoloside AFormula:
C38H62O6Cl2Smiles:
CCCCCCCC(Cl)CCCCCc1cc(O)c(CCCCCC(Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
CCCCCCCC(Cl)CCCCCc1cc(O)c(CCCCCC(Cl)CCCCCC)c(O)c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 8.96 | Num_rotatable_bonds: | 25 |
| MolWt: | 661.79 | Num_heavy_atoms: | 44 |
| TPSA: | 99.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD20173
Formula: C33H54O2Cl2
Smiles:
CCCCCCCC(Cl)CCCCCc1cc(O)c(CCCCCC(Cl)CCCCCC)c(O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 10.85 | Num_rotatable_bonds: | 23 |
| MolWt: | 529.68 | Num_heavy_atoms: | 35 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
