Glycoside
GD002697
Name:
NoneFormula:
C19H18O4N6ClISmiles:
Nc1ncnc2c1ncn2C1O[C@H](CC(=O)NCc2cccc(I)c2Cl)[C@H](O)[C@H]1OAglycone:
CC(=O)NCc1cccc(I)c1Cl.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 544.74 | Num_heavy_atoms: | 30 |
| TPSA: | 148.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD02542
Formula: C10H9ONClI
Smiles:
CC(=O)NCc1cccc(I)c1Cl| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 309.53 | Num_heavy_atoms: | 13 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
