Glycoside
GD034505
Name:
NoneFormula:
C20H30O9N6SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCC(=O)O)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)CCCCCCCCC(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 14 |
| MolWt: | 530.56 | Num_heavy_atoms: | 36 |
| TPSA: | 229.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD21933
Formula: C11H21O6NS
Smiles:
COS(=O)(=O)NC(=O)CCCCCCCCC(=O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 11 |
| MolWt: | 295.36 | Num_heavy_atoms: | 19 |
| TPSA: | 109.77 | NumAromaticRings: | 0 |
