Glycoside
GD002588
Name:
NoneFormula:
C17H25O5N5SSmiles:
CCOC(=O)C(N)CCSC[C@@H]1OC(n2ccc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCOC(=O)C(N)CCSC.Nc1ncnc2c1C=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 8 |
| MolWt: | 411.48 | Num_heavy_atoms: | 28 |
| TPSA: | 158.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD00138
Formula: C6H5N4
Smiles:
Nc1ncnc2c1C=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
AD02454
Formula: C7H15O2NS
Smiles:
CCOC(=O)C(N)CCSC| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 177.27 | Num_heavy_atoms: | 11 |
| TPSA: | 52.32 | NumAromaticRings: | 0 |
