Glycoside
GD100817
Name:
NoneFormula:
C19H20O6N6SSmiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=S)Nc3ccc(C(=O)O)cc3)ncnc21Aglycone:
O=C(O)c1ccc(NC(=S)Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 460.47 | Num_heavy_atoms: | 32 |
| TPSA: | 163.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD42587
Formula: C13H9O2N6S
Smiles:
O=C(O)c1ccc(NC(=S)Nc2ncnc3c2N=C[N]3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 313.32 | Num_heavy_atoms: | 22 |
| TPSA: | 113.6 | NumAromaticRings: | 2 |
