Glycoside
GD063742
Name:
NoneFormula:
C11H17O9N3SSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ncccn1Aglycone:
COS(O)(O)O.NC(=O)c1ncccn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 367.34 | Num_heavy_atoms: | 24 |
| TPSA: | 194.72 | NumAromaticRings: | 1 |
Unique Aglycone
AD00451
Formula: C5H5ON3
Smiles:
NC(=O)c1ncccn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 123.11 | Num_heavy_atoms: | 9 |
| TPSA: | 68.87 | NumAromaticRings: | 1 |
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 |
