Glycoside
GD012680
Name:
NoneFormula:
C22H26O5N5ISmiles:
OC[C@@H]1O[C@H](n2cnc3c(NC4CCC[C@H]4OCc4cccc(I)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
Ic1cccc(COC2CCCC2Nc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 567.38 | Num_heavy_atoms: | 33 |
| TPSA: | 134.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD08770
Formula: C17H17ON5I
Smiles:
Ic1cccc(COC2CCCC2Nc2ncnc3c2N=C[N]3)c1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 434.26 | Num_heavy_atoms: | 24 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
