Glycoside
GD098836
Name:
NoneFormula:
C14H19O5N6SBrSmiles:
COCCNC(=S)Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
COCCNC(=S)Nc1ncnc2c1N=C(Br)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 463.31 | Num_heavy_atoms: | 27 |
| TPSA: | 146.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD42048
Formula: C9H10ON6SBr
Smiles:
COCCNC(=S)Nc1ncnc2c1N=C(Br)[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.19 | Num_heavy_atoms: | 18 |
| TPSA: | 85.53 | NumAromaticRings: | 1 |
