Glycoside
GD031122
Name:
Bartoloside JFormula:
C35H59O6ClSmiles:
CCCCCCCCCCCc1cc(O)c(CCCCCC(Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
CCCCCCCCCCCc1cc(O)c(CCCCCC(Cl)CCCCCC)c(O)c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 7.96 | Num_rotatable_bonds: | 23 |
| MolWt: | 599.29 | Num_heavy_atoms: | 41 |
| TPSA: | 99.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD20073
Formula: C30H51O2Cl
Smiles:
CCCCCCCCCCCc1cc(O)c(CCCCCC(Cl)CCCCCC)c(O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 9.85 | Num_rotatable_bonds: | 21 |
| MolWt: | 467.18 | Num_heavy_atoms: | 32 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
