Glycoside
GD016536
Name:
NoneFormula:
C26H36O6N5ISmiles:
Nc1nc(OCc2cccc([131I])c2)c2ncn(CCCCCCCC[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCCCCCCn1cnc2c(OCc3cccc(I)c3)nc(N)nc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 13 |
| MolWt: | 645.51 | Num_heavy_atoms: | 38 |
| TPSA: | 169.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD11892
Formula: C20H26ON5I
Smiles:
CCCCCCCCn1cnc2c(OCc3cccc(I)c3)nc(N)nc21| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 10 |
| MolWt: | 479.37 | Num_heavy_atoms: | 27 |
| TPSA: | 78.85 | NumAromaticRings: | 3 |
