Glycoside
GD031600
Name:
Ribocyclophane EFormula:
C44H67O11ClSmiles:
CCCCC(Cl)CCCC[C@H](C)[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)c1cc(O)c([C@H](CCCC)CCCC[C@H](C)[C@H](OC(C)=O)c2cc(O)cc(O)c2)c(O)c1Aglycone:
CCCCC(Cl)CCCCC(C)C(O)c1cc(O)c(C(CCCC)CCCCC(C)C(OC(C)=O)c2cc(O)cc(O)c2)c(O)c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.7 |
| AlogP: | 8.77 | Num_rotatable_bonds: | 24 |
| MolWt: | 795.45 | Num_heavy_atoms: | 55 |
| TPSA: | 186.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD20344
Formula: C39H59O7Cl
Smiles:
CCCCC(Cl)CCCCC(C)C(O)c1cc(O)c(C(CCCC)CCCCC(C)C(OC(C)=O)c2cc(O)cc(O)c2)c(O)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.66 |
| AlogP: | 10.31 | Num_rotatable_bonds: | 22 |
| MolWt: | 663.34 | Num_heavy_atoms: | 46 |
| TPSA: | 127.45 | NumAromaticRings: | 2 |
