Glycoside
GD035376
Name:
NoneFormula:
C22H25O5N7SSmiles:
Nc1ncnc2c1nc(SCC(=O)NCCc1c[nH]c3ccccc13)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(SCC(=O)NCCc1c[nH]c3ccccc13)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.36 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 499.55 | Num_heavy_atoms: | 35 |
| TPSA: | 184.43 | NumAromaticRings: | 4 |
Unique Aglycone
AD19093
Formula: C17H16ON7S
Smiles:
Nc1ncnc2c1N=C(SCC(=O)NCCc1c[nH]c3ccccc13)[N]2| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.18 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 366.43 | Num_heavy_atoms: | 26 |
| TPSA: | 123.15 | NumAromaticRings: | 3 |
