Glycoside
GD100344
Name:
NoneFormula:
C21H33O5N4SSmiles:
Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)c2c1CAglycone:
Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N)c2c1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 453.59 | Num_heavy_atoms: | 31 |
| TPSA: | 132.4 | NumAromaticRings: | 2 |
Unique Aglycone
AD42397
Formula: C15H23N4S
Smiles:
Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N)c2c1C| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 291.44 | Num_heavy_atoms: | 20 |
| TPSA: | 56.24 | NumAromaticRings: | 2 |
