Glycoside
GD040228
Name:
(2s)-2-azanyl-4-[[(2s,3s,4r,5r)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acidFormula:
C15H22O5N6SSmiles:
CNc1ncnc2c1ncn2[C@H]1O[C@H](CSCC[C@@H](N)C(=O)O)[C@H](O)[C@@H]1OAglycone:
CNc1ncnc2c1N=C[N]2.CSCCC(N)C(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 398.45 | Num_heavy_atoms: | 27 |
| TPSA: | 168.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD01546
Formula: C5H11O2NS
Smiles:
CSCCC(N)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 149.22 | Num_heavy_atoms: | 9 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
AD02186
Formula: C6H6N5
Smiles:
CNc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 148.15 | Num_heavy_atoms: | 11 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
