Glycoside
GD027066
Name:
NoneFormula:
C19H25O5N7SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)NCc2ccco2)[C@H](O)[C@H]1OAglycone:
CSCCCNC(=O)NCc1ccco1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 9 |
| MolWt: | 463.52 | Num_heavy_atoms: | 32 |
| TPSA: | 173.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD17814
Formula: C10H16O2N2S
Smiles:
CSCCCNC(=O)NCc1ccco1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 228.32 | Num_heavy_atoms: | 15 |
| TPSA: | 54.27 | NumAromaticRings: | 1 |
