Glycoside
GD009940
Name:
NoneFormula:
C20H17O6N5SBr2Smiles:
Nc1ncnc2c1nc(SCc1cc3cc(Br)cc(Br)c3oc1=O)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(SCc1cc3cc(Br)cc(Br)c3oc1=O)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 615.26 | Num_heavy_atoms: | 34 |
| TPSA: | 169.75 | NumAromaticRings: | 4 |
Unique Aglycone
AD07739
Formula: C15H8O2N5SBr2
Smiles:
Nc1ncnc2c1N=C(SCc1cc3cc(Br)cc(Br)c3oc1=O)[N]2| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 2 |
| MolWt: | 482.14 | Num_heavy_atoms: | 25 |
| TPSA: | 108.47 | NumAromaticRings: | 3 |
