Glycoside
GD028820
Name:
NoneFormula:
C18H23O7N8SISmiles:
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)n(C)n1Aglycone:
COS(=O)(=O)NC(=O)c1cc(C(C)C)nn1C.Nc1nc(I)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 7 |
| MolWt: | 622.4 | Num_heavy_atoms: | 35 |
| TPSA: | 209.6 | 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 |
AD07081
Formula: C9H15O4N3S
Smiles:
COS(=O)(=O)NC(=O)c1cc(C(C)C)nn1C| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 261.3 | Num_heavy_atoms: | 17 |
| TPSA: | 90.29 | NumAromaticRings: | 1 |
