Glycoside
GD031695
Name:
NoneFormula:
C19H16O5N6ClISmiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NC(=O)c4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
O=C(Nc1nc(Cl)nc2c1N=C[N]2)c1cccc(I)c1Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 558.72 | Num_heavy_atoms: | 31 |
| TPSA: | 151.49 | NumAromaticRings: | 3 |
Unique Aglycone
AD02975
Formula: C13H6ON5ClI
Smiles:
O=C(Nc1nc(Cl)nc2c1N=C[N]2)c1cccc(I)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 398.57 | Num_heavy_atoms: | 20 |
| TPSA: | 81.34 | NumAromaticRings: | 2 |
