Glycoside
GD002163
Name:
NoneFormula:
C19H21O4N3SSmiles:
Cc1ccc(CSc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
Cc1ccc(CSc2ncnc3c2C=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 387.46 | Num_heavy_atoms: | 27 |
| TPSA: | 100.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD02093
Formula: C14H12N3S
Smiles:
Cc1ccc(CSc2ncnc3c2C=C[N]3)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 254.34 | Num_heavy_atoms: | 18 |
| TPSA: | 39.88 | NumAromaticRings: | 2 |
