Glycoside
GD091942
Name:
NoneFormula:
C19H23O6N5SSmiles:
O=S(=O)(CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)Cc1ccccc1Aglycone:
O=S(=O)(CCNc1ncnc2c1N=C[N]2)Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 8 |
| MolWt: | 449.49 | Num_heavy_atoms: | 31 |
| TPSA: | 159.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD40120
Formula: C14H14O2N5S
Smiles:
O=S(=O)(CCNc1ncnc2c1N=C[N]2)Cc1ccccc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 316.37 | Num_heavy_atoms: | 22 |
| TPSA: | 98.41 | NumAromaticRings: | 2 |
