Glycoside
GD024792
Name:
NoneFormula:
C16H25O6N7SSmiles:
CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCC(C)C(N)C(=O)NS(C)(=O)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 443.49 | Num_heavy_atoms: | 30 |
| TPSA: | 208.57 | 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 |
AD16516
Formula: C7H16O3N2S
Smiles:
CCC(C)C(N)C(=O)NS(C)(=O)=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 208.28 | Num_heavy_atoms: | 13 |
| TPSA: | 89.26 | NumAromaticRings: | 0 |
