Glycoside
GD027900
Name:
NoneFormula:
C28H24O6N5ClS2Smiles:
Nc1nc(SCc2cc3cc(Cl)ccc3oc2=O)c2nc(SCc3ccccc3)n([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
Nc1nc2c(c(SCc3cc4cc(Cl)ccc4oc3=O)n1)N=C(SCc1ccccc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 8 |
| MolWt: | 614.11 | Num_heavy_atoms: | 41 |
| TPSA: | 169.75 | NumAromaticRings: | 5 |
Unique Aglycone
AD18290
Formula: C23H15O2N5ClS2
Smiles:
Nc1nc2c(c(SCc3cc4cc(Cl)ccc4oc3=O)n1)N=C(SCc1ccccc1)[N]2| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 5.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.98 | Num_heavy_atoms: | 32 |
| TPSA: | 108.47 | NumAromaticRings: | 4 |
