Glycoside
GD030334
Name:
NoneFormula:
C28H30O7N8SSmiles:
Cc1ccc(S(=O)(=O)n2cc(CCOc3nc(NC(=N)N)c4ncn([C@@H]5O[C@H](CO)[C@H](O)[C@H]5O)c4n3)c3ccccc32)cc1Aglycone:
Cc1ccc(S(=O)(=O)n2cc(CCOc3nc4c(c(NC(=N)N)n3)N=C[N]4)c3ccccc32)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 9 |
| MolWt: | 622.66 | Num_heavy_atoms: | 44 |
| TPSA: | 223.72 | NumAromaticRings: | 5 |
Unique Aglycone
AD19628
Formula: C23H21O3N8S
Smiles:
Cc1ccc(S(=O)(=O)n2cc(CCOc3nc4c(c(NC(=N)N)n3)N=C[N]4)c3ccccc32)cc1| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 489.54 | Num_heavy_atoms: | 35 |
| TPSA: | 162.44 | NumAromaticRings: | 4 |
