Glycoside
GD011886
Name:
NoneFormula:
C16H23O8N6SISmiles:
CC(C)C[C@H](O)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)nc(I)nc32)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(O)CC(C)C.Nc1nc(I)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 8 |
| MolWt: | 586.37 | Num_heavy_atoms: | 32 |
| TPSA: | 212.01 | 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 |
AD09016
Formula: C7H15O5NS
Smiles:
COS(=O)(=O)NC(=O)C(O)CC(C)C| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 225.27 | Num_heavy_atoms: | 14 |
| TPSA: | 92.7 | NumAromaticRings: | 0 |
