Glycoside
GD013402
Name:
NoneFormula:
C14H17O4N5SSmiles:
C=CC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSC)[C@H](O)[C@H]1OAglycone:
C=CC(=O)Nc1ncnc2c1N=C[N]2Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 351.39 | Num_heavy_atoms: | 24 |
| TPSA: | 122.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD10005
Formula: C8H6ON5
Smiles:
C=CC(=O)Nc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 188.17 | Num_heavy_atoms: | 14 |
| TPSA: | 81.34 | NumAromaticRings: | 1 |
