Glycoside
GD015203
Name:
Bartoloside EFormula:
C36H58O6Cl2Smiles:
CCCCCCC(Cl)CCCCCc1c(O)cc(CCCCCCC(Cl)CCCC)cc1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCCC(Cl)CCCCCc1c(O)cc(CCCCCCC(Cl)CCCC)cc1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 8.18 | Num_rotatable_bonds: | 23 |
| MolWt: | 633.74 | Num_heavy_atoms: | 42 |
| TPSA: | 99.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD11071
Formula: C31H50O2Cl2
Smiles:
CCCCCCC(Cl)CCCCCc1c(O)cc(CCCCCCC(Cl)CCCC)cc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 10.07 | Num_rotatable_bonds: | 21 |
| MolWt: | 501.62 | Num_heavy_atoms: | 33 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
