Glycoside
GD029488
Name:
NoneFormula:
C15H22O7N7S2ISmiles:
CSCC[C@H](N)C(=O)NS(=O)(=O)OC[C@@H]1OC(n2cnc3c(N)nc(I)nc32)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(N)CCSC.Nc1nc(I)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 9 |
| MolWt: | 603.42 | Num_heavy_atoms: | 32 |
| TPSA: | 217.8 | 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 |
AD08879
Formula: C6H14O4N2S2
Smiles:
COS(=O)(=O)NC(=O)C(N)CCSC| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 242.32 | Num_heavy_atoms: | 14 |
| TPSA: | 98.49 | NumAromaticRings: | 0 |
