Glycoside
GD006115
Name:
NoneFormula:
C18H18O3N5ClSSmiles:
Nc1ncnc2c1ncn2C1OC(CSCc2ccc(Cl)cc2)C(O)C1OAglycone:
CSCc1ccc(Cl)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 407.88 | Num_heavy_atoms: | 27 |
| TPSA: | 119.31 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD05086
Formula: C9H9ClS
Smiles:
CSCc1ccc(Cl)cc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 172.68 | Num_heavy_atoms: | 10 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
