Glycoside
GD144753
Name:
Bartoloside BFormula:
C46H76O10Cl2Smiles:
CCCCCCCCCC(Cl)CCCCCc1cc(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)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | 8.28 | Num_rotatable_bonds: | 28 |
| MolWt: | 835.99 | Num_heavy_atoms: | 56 |
| TPSA: | 169.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD17701
Formula: C35H58O2Cl2
Smiles:
CCCCCCCCCC(Cl)CCCCCc1cc(O)c(CCCCCC(Cl)CCCCCC)c(O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 11.63 | Num_rotatable_bonds: | 25 |
| MolWt: | 557.73 | Num_heavy_atoms: | 37 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
