Glycoside
GD071340
Name:
NoneFormula:
C12H17O6N7SSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NS(N)(=O)=O)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.NS(=O)(=O)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -2.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 387.38 | Num_heavy_atoms: | 26 |
| TPSA: | 194.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD27264
Formula: C5H5O2N6S
Smiles:
NS(=O)(=O)Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 213.2 | Num_heavy_atoms: | 14 |
| TPSA: | 124.43 | NumAromaticRings: | 1 |
