Glycoside
GD091295
Name:
NoneFormula:
C14H17O4N6SBrSmiles:
OC[C@H]1O[C@@H](n2c(Br)nc3c(NC(=S)NC4CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
S=C(Nc1ncnc2c1N=C(Br)[N]2)NC1CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 445.3 | Num_heavy_atoms: | 26 |
| TPSA: | 137.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD39820
Formula: C9H8N6SBr
Smiles:
S=C(Nc1ncnc2c1N=C(Br)[N]2)NC1CC1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 312.18 | Num_heavy_atoms: | 17 |
| TPSA: | 76.3 | NumAromaticRings: | 1 |
