Glycoside
GD000878
Name:
NoneFormula:
C19H18O5N5ClSSmiles:
CC(=O)c1cc(Cl)ccc1Sc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CC(=O)c1cc(Cl)ccc1Sc1nc(N)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 451.89 | Num_heavy_atoms: | 30 |
| TPSA: | 156.61 | NumAromaticRings: | 3 |
Unique Aglycone
AD00916
Formula: C14H9ON5ClS
Smiles:
CC(=O)c1cc(Cl)ccc1Sc1nc(N)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.77 | Num_heavy_atoms: | 21 |
| TPSA: | 95.33 | NumAromaticRings: | 2 |
