Glycoside
GD098012
Name:
NoneFormula:
C16H21O5N6SBrSmiles:
OC[C@H]1O[C@@H](n2c(Br)nc3c(NC(=S)NC[C@@H]4CCCO4)ncnc32)[C@H](O)[C@@H]1OAglycone:
S=C(NCC1CCCO1)Nc1ncnc2c1N=C(Br)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 489.35 | Num_heavy_atoms: | 29 |
| TPSA: | 146.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD41700
Formula: C11H12ON6SBr
Smiles:
S=C(NCC1CCCO1)Nc1ncnc2c1N=C(Br)[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 356.23 | Num_heavy_atoms: | 20 |
| TPSA: | 85.53 | NumAromaticRings: | 1 |
