Glycoside
GD071591
Name:
NoneFormula:
C14H18O6N6SSmiles:
C=CS(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCC)[C@@H](O)[C@H]1OAglycone:
C=CS(=O)(=O)Nc1ncnc2c1N=C[N]2.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 398.4 | Num_heavy_atoms: | 27 |
| TPSA: | 168.56 | 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 |
AD30421
Formula: C7H6O2N5S
Smiles:
C=CS(=O)(=O)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 224.22 | Num_heavy_atoms: | 15 |
| TPSA: | 98.41 | NumAromaticRings: | 1 |
