Glycoside
GD117127
Name:
Bartoloside DFormula:
C47H75O10Cl3Smiles:
CCCCCCCCCC(Cl)CCCCCc1c(Cl)c(OC2OC(C)C(O)C(O)C2O)c(CCCCCC(Cl)CCCCCC)c(O)c1C1OCC(O)C(O)C1OAglycone:
CCCCCCCCCC(Cl)CCCCCc1cc(O)c(CCCCCC(Cl)CCCCCC)c(O)c1ClSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | 8.94 | Num_rotatable_bonds: | 28 |
| MolWt: | 870.43 | Num_heavy_atoms: | 57 |
| TPSA: | 169.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD46648
Formula: C36H57O2Cl3
Smiles:
CCCCCCCCCC(Cl)CCCCCc1cc(O)c(CCCCCC(Cl)CCCCCC)c(O)c1Cl| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 12.28 | Num_rotatable_bonds: | 25 |
| MolWt: | 592.18 | Num_heavy_atoms: | 38 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
