Glycoside
GD029826
Name:
NoneFormula:
C19H24O6N8SSmiles:
CCNC(=O)C[C@@H]1OC(n2cnc3c(NNc4ccc(S(N)(=O)=O)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC(C)=O.NS(=O)(=O)c1ccc(NNc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 8 |
| MolWt: | 492.52 | Num_heavy_atoms: | 34 |
| TPSA: | 206.61 | NumAromaticRings: | 3 |
Unique Aglycone
AD19353
Formula: C4H9ON
Smiles:
CCNC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 87.12 | Num_heavy_atoms: | 6 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD19354
Formula: C11H10O2N7S
Smiles:
NS(=O)(=O)c1ccc(NNc2ncnc3c2N=C[N]3)cc1| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 304.31 | Num_heavy_atoms: | 21 |
| TPSA: | 136.46 | NumAromaticRings: | 2 |
