Glycoside
GD102887
Name:
NoneFormula:
C16H21O4N6SBrSmiles:
OC[C@H]1O[C@@H](n2c(Br)nc3c(NC(=S)NC4CCCC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
S=C(Nc1ncnc2c1N=C(Br)[N]2)NC1CCCC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 473.35 | Num_heavy_atoms: | 28 |
| TPSA: | 137.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD43550
Formula: C11H12N6SBr
Smiles:
S=C(Nc1ncnc2c1N=C(Br)[N]2)NC1CCCC1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 340.23 | Num_heavy_atoms: | 19 |
| TPSA: | 76.3 | NumAromaticRings: | 1 |
