Glycoside
GD019558
Name:
NoneFormula:
C19H21O5N3SSmiles:
COc1ccc(CSc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
COc1ccc(CSc2ncnc3c2C=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 403.46 | Num_heavy_atoms: | 28 |
| TPSA: | 109.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD13643
Formula: C14H12ON3S
Smiles:
COc1ccc(CSc2ncnc3c2C=C[N]3)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 270.34 | Num_heavy_atoms: | 19 |
| TPSA: | 49.11 | NumAromaticRings: | 2 |
