Glycoside
GD017805
Name:
NoneFormula:
C20H18O6N5SBrSmiles:
Nc1ncnc2c1nc(SCc1cc3cc(Br)ccc3oc1=O)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(SCc1cc3cc(Br)ccc3oc1=O)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 536.36 | Num_heavy_atoms: | 33 |
| TPSA: | 169.75 | NumAromaticRings: | 4 |
Unique Aglycone
AD12665
Formula: C15H9O2N5SBr
Smiles:
Nc1ncnc2c1N=C(SCc1cc3cc(Br)ccc3oc1=O)[N]2| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 403.24 | Num_heavy_atoms: | 24 |
| TPSA: | 108.47 | NumAromaticRings: | 3 |
