Glycoside
GD034491
Name:
Bartoloside GFormula:
C37H63O6ClSmiles:
CCCCCCCCCCCCCc1cc(O)c(CCCCCC(Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
CCCCCCCCCCCCCc1cc(O)c(CCCCCC(Cl)CCCCCC)c(O)c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 8.74 | Num_rotatable_bonds: | 25 |
| MolWt: | 627.35 | Num_heavy_atoms: | 43 |
| TPSA: | 99.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD21922
Formula: C32H55O2Cl
Smiles:
CCCCCCCCCCCCCc1cc(O)c(CCCCCC(Cl)CCCCCC)c(O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 10.63 | Num_rotatable_bonds: | 23 |
| MolWt: | 495.23 | Num_heavy_atoms: | 34 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
