Glycoside
GD017650
Name:
NoneFormula:
C15H23O6N7SSmiles:
CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)O[C@@H]1O[C@H](n2cnc3c(N)ncnc32)C[C@H]1OAglycone:
CCC(C)C(N)C(=O)NS(=O)(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 429.46 | Num_heavy_atoms: | 29 |
| TPSA: | 197.57 | 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 |
AD12580
Formula: C6H14O4N2S
Smiles:
CCC(C)C(N)C(=O)NS(=O)(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 210.25 | Num_heavy_atoms: | 13 |
| TPSA: | 109.49 | NumAromaticRings: | 0 |
