Glycoside
GD030679
Name:
NoneFormula:
C17H27O6N7SSmiles:
CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)CC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCC(C)C(N)C(=O)NS(=O)(=O)CC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 8 |
| MolWt: | 457.51 | Num_heavy_atoms: | 31 |
| 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 |
AD19838
Formula: C8H18O3N2S
Smiles:
CCC(C)C(N)C(=O)NS(=O)(=O)CC| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 222.31 | Num_heavy_atoms: | 14 |
| TPSA: | 89.26 | NumAromaticRings: | 0 |
