Glycoside
GD053901
Name:
NoneFormula:
C10H17O8N3SSmiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](Nc2cccnn2)[C@H]1OAglycone:
COS(O)(O)O.Nc1cccnn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 339.33 | Num_heavy_atoms: | 22 |
| TPSA: | 177.65 | NumAromaticRings: | 1 |
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 |
AD27461
Formula: C4H5N3
Smiles:
Nc1cccnn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 95.11 | Num_heavy_atoms: | 7 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
