Glycoside
GD125098
Name:
Bartoloside CFormula:
C45H77O10ClSmiles:
CCCCCCCCCCCCc1c(OC2OC(C)C(O)C(O)C2O)cc(CCCCCC(Cl)CCCCCCCCC)c(C2OCC(O)C(O)C2O)c1OAglycone:
CCCCCCCCCCCCc1c(O)cc(CCCCCC(Cl)CCCCCCCCC)cc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | 8.07 | Num_rotatable_bonds: | 28 |
| MolWt: | 801.54 | Num_heavy_atoms: | 55 |
| TPSA: | 169.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD50589
Formula: C34H59O2Cl
Smiles:
CCCCCCCCCCCCc1c(O)cc(CCCCCC(Cl)CCCCCCCCC)cc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 11.41 | Num_rotatable_bonds: | 25 |
| MolWt: | 523.29 | Num_heavy_atoms: | 36 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
