Glycoside
GD017304
Name:
NoneFormula:
C12H17O7N5SSmiles:
O=S(=O)(O)CCNc1ncnc2c1ncn2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=S(=O)(O)CCNc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 375.36 | Num_heavy_atoms: | 25 |
| TPSA: | 179.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD12362
Formula: C7H8O3N5S
Smiles:
O=S(=O)(O)CCNc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 242.24 | Num_heavy_atoms: | 16 |
| TPSA: | 118.64 | NumAromaticRings: | 1 |
