Glycoside
GD028005
Name:
NoneFormula:
C22H22O4N4SSmiles:
Cc1ccc2ccccc2c1CSc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Cc1ccc2ccccc2c1CSc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 438.51 | Num_heavy_atoms: | 31 |
| TPSA: | 113.52 | NumAromaticRings: | 4 |
Unique Aglycone
AD18341
Formula: C17H13N4S
Smiles:
Cc1ccc2ccccc2c1CSc1ncnc2c1N=C[N]2| HBA: | 4 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 305.39 | Num_heavy_atoms: | 22 |
| TPSA: | 52.24 | NumAromaticRings: | 3 |
