Glycoside
GD082693
Name:
NoneFormula:
C15H18O8N4SSmiles:
N#Cc1ccc2ncnc(N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)c2c1Aglycone:
COS(O)(O)O.N#Cc1ccc2ncnc(N)c2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.4 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.4 | Num_heavy_atoms: | 28 |
| TPSA: | 201.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD29226
Formula: C9H6N4
Smiles:
N#Cc1ccc2ncnc(N)c2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 170.17 | Num_heavy_atoms: | 13 |
| TPSA: | 75.59 | NumAromaticRings: | 2 |
