Glycoside
GD091238
Name:
NoneFormula:
C17H21O5N6ClSSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NC(=S)NC[C@H]4CCCO4)nc(Cl)nc32)[C@H](O)[C@@H]1OAglycone:
S=C(NCC1CCCO1)Nc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.9 | Num_heavy_atoms: | 29 |
| TPSA: | 146.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD39782
Formula: C12H12ON6ClS
Smiles:
S=C(NCC1CCCO1)Nc1nc(Cl)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 311.78 | Num_heavy_atoms: | 20 |
| TPSA: | 85.53 | NumAromaticRings: | 1 |
