Glycoside
GD028508
Name:
NoneFormula:
C19H23O6N7SSmiles:
Nc1nc(N[C@@H]2CCc3ccccc32)c2ncn([C@@H]3O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]3O)c2n1Aglycone:
COS(N)(=O)=O.Nc1nc2c(c(NC3CCc4ccccc43)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 477.5 | Num_heavy_atoms: | 33 |
| TPSA: | 200.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD00036
Formula: CH5O3NS
Smiles:
COS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
AD18615
Formula: C14H13N6
Smiles:
Nc1nc2c(c(NC3CCc4ccccc43)n1)N=C[N]2| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 265.3 | Num_heavy_atoms: | 20 |
| TPSA: | 90.29 | NumAromaticRings: | 2 |
