Glycoside
GD108310
Name:
NoneFormula:
C19H18O4N6ClISmiles:
CNC(=O)[C@H]1O[C@@H](n2cnc3c(N(C)c4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1OAglycone:
CN(c1cccc(I)c1)c1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 544.74 | Num_heavy_atoms: | 30 |
| TPSA: | 125.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD44426
Formula: C13H8N5ClI
Smiles:
CN(c1cccc(I)c1)c1nc(Cl)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 384.59 | Num_heavy_atoms: | 19 |
| TPSA: | 55.48 | NumAromaticRings: | 2 |
