Glycoside
GD088588
Name:
NoneFormula:
C16H22O6N6SSmiles:
COC(=O)CCNC(=S)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OCAglycone:
COC(=O)CCNC(=S)Nc1ncnc2c1N=C[N]2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 426.46 | Num_heavy_atoms: | 29 |
| TPSA: | 152.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD37008
Formula: C10H11O2N6S
Smiles:
COC(=O)CCNC(=S)Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 279.31 | Num_heavy_atoms: | 19 |
| TPSA: | 102.6 | NumAromaticRings: | 1 |
