Glycoside
GD082823
Name:
NoneFormula:
C15H19O8N3SSmiles:
O=S(=O)(OCc1cn(C[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)nn1)c1ccccc1Aglycone:
Cn1cc(COS(=O)(=O)c2ccccc2)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 401.4 | Num_heavy_atoms: | 27 |
| TPSA: | 164.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD37112
Formula: C10H11O3N3S
Smiles:
Cn1cc(COS(=O)(=O)c2ccccc2)nn1| HBA: | 6 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 253.28 | Num_heavy_atoms: | 17 |
| TPSA: | 74.08 | NumAromaticRings: | 2 |
