Glycoside
GD030080
Name:
NoneFormula:
C22H27O4N3SSmiles:
CC(C)(C)c1ccc(CSc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
CC(C)(C)c1ccc(CSc2ncnc3c2C=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 429.54 | Num_heavy_atoms: | 30 |
| TPSA: | 100.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD19486
Formula: C17H18N3S
Smiles:
CC(C)(C)c1ccc(CSc2ncnc3c2C=C[N]3)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 296.42 | Num_heavy_atoms: | 21 |
| TPSA: | 39.88 | NumAromaticRings: | 2 |
