Glycoside
GD037033
Name:
NoneFormula:
C27H24O6N5S2BrSmiles:
Nc1nc(SCc2cc3cc(Br)ccc3oc2=O)c2nc(SCc3ccccc3)n([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
Nc1nc2c(c(SCc3cc4cc(Br)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: | 3.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 658.56 | Num_heavy_atoms: | 41 |
| TPSA: | 169.75 | NumAromaticRings: | 5 |
Unique Aglycone
AD23357
Formula: C22H15O2N5S2Br
Smiles:
Nc1nc2c(c(SCc3cc4cc(Br)ccc4oc3=O)n1)N=C(SCc1ccccc1)[N]2| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 5.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 525.43 | Num_heavy_atoms: | 32 |
| TPSA: | 108.47 | NumAromaticRings: | 4 |
