Glycoside
GD028488
Name:
NoneFormula:
C18H17O3N5ClISmiles:
O[C@H]1[C@H](O)CO[C@@H]1Cn1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21Aglycone:
Cn1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 501.71 | Num_heavy_atoms: | 27 |
| TPSA: | 105.32 | NumAromaticRings: | 3 |
Unique Aglycone
AD18601
Formula: C14H11N5ClI
Smiles:
Cn1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 399.62 | Num_heavy_atoms: | 20 |
| TPSA: | 55.63 | NumAromaticRings: | 3 |
