Glycoside
GD016722
Name:
NoneFormula:
C19H21O6N5SSmiles:
Nc1nc(SCCc2ccc(C(=O)O)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1nc(SCCc2ccc(C(=O)O)cc2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 447.47 | Num_heavy_atoms: | 31 |
| TPSA: | 176.84 | NumAromaticRings: | 3 |
Unique Aglycone
AD12003
Formula: C14H12O2N5S
Smiles:
Nc1nc(SCCc2ccc(C(=O)O)cc2)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 314.35 | Num_heavy_atoms: | 22 |
| TPSA: | 115.56 | NumAromaticRings: | 2 |
