Glycoside
GD032951
Name:
NoneFormula:
C16H27O7N7SSmiles:
CC(C)(CO)[C@H](O)CNS(=O)(=O)NC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CNS(=O)(=O)NCC(O)C(C)(C)CO.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.69 |
| AlogP: | -3.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 461.5 | Num_heavy_atoms: | 31 |
| TPSA: | 217.97 | 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 |
AD21068
Formula: C7H18O4N2S
Smiles:
CNS(=O)(=O)NCC(O)C(C)(C)CO| HBA: | 6 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 226.3 | Num_heavy_atoms: | 14 |
| TPSA: | 98.66 | NumAromaticRings: | 0 |
