Glycoside
GD028819
Name:
NoneFormula:
C17H21O7N8SISmiles:
CC(C)c1cc(C(=O)NS(=O)(=O)OC[C@@H]2O[C@H](n3cnc4c(N)nc(I)nc43)[C@H](O)[C@H]2O)[nH]n1Aglycone:
COS(=O)(=O)NC(=O)c1cc(C(C)C)n[nH]1.Nc1nc(I)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 7 |
| MolWt: | 608.38 | Num_heavy_atoms: | 34 |
| TPSA: | 220.46 | NumAromaticRings: | 3 |
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 |
AD18786
Formula: C8H13O4N3S
Smiles:
COS(=O)(=O)NC(=O)c1cc(C(C)C)n[nH]1| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 247.28 | Num_heavy_atoms: | 16 |
| TPSA: | 101.15 | NumAromaticRings: | 1 |
