Glycoside
GD020937
Name:
NoneFormula:
C9H11O9N2SSmiles:
O=c1ccn([C@@H]2O[C@H](COS(=O)(=O)[O-])[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COS(=O)(=O)[O-].O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -3.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 323.26 | Num_heavy_atoms: | 21 |
| TPSA: | 170.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD00581
Formula: CH3O4S
Smiles:
COS(=O)(=O)[O-]| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.1 | Num_heavy_atoms: | 6 |
| TPSA: | 66.43 | NumAromaticRings: | 0 |
