Glycoside
GD090821
Name:
NoneFormula:
C18H23O7N3SSmiles:
CN1N=C(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)CCC1=OAglycone:
CN1N=C(C(=O)Nc2ccc(S)cc2)CCC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 425.46 | Num_heavy_atoms: | 29 |
| TPSA: | 151.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD39537
Formula: C12H13O2N3S
Smiles:
CN1N=C(C(=O)Nc2ccc(S)cc2)CCC1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 263.32 | Num_heavy_atoms: | 18 |
| TPSA: | 61.77 | NumAromaticRings: | 1 |
