Glycoside
GD029922
Name:
NoneFormula:
C15H19O3N6ClSSmiles:
Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CS[C@@H]2CCNC2)[C@H](O)[C@H]1OAglycone:
CSC1CCNC1.Nc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 386.87 | Num_heavy_atoms: | 25 |
| TPSA: | 131.34 | NumAromaticRings: | 2 |
Unique Aglycone
AD00532
Formula: C6H3N5Cl
Smiles:
Nc1nc(Cl)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 0 |
| MolWt: | 168.57 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD08016
Formula: C5H11NS
Smiles:
CSC1CCNC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 117.22 | Num_heavy_atoms: | 7 |
| TPSA: | 12.03 | NumAromaticRings: | 0 |
