Glycoside
GD093651
Name:
NoneFormula:
C13H17O5N6ISmiles:
CCC(=O)N[C@@H](O)[C@H]1O[C@@H](n2cnc3c(N)nc(I)nc32)[C@H](O)[C@@H]1OAglycone:
CCC(=O)NCO.Nc1nc(I)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 464.22 | Num_heavy_atoms: | 25 |
| TPSA: | 168.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD01497
Formula: C5H3N5I
Smiles:
Nc1nc(I)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.02 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD40438
Formula: C4H9O2N
Smiles:
CCC(=O)NCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 103.12 | Num_heavy_atoms: | 7 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
