Glycoside
GD011519
Name:
NoneFormula:
C12H17O7N3SSmiles:
O=c1ccn([C@@H]2O[C@H](CNS(=O)(=O)C3CC3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
CNS(=O)(=O)C1CC1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -2.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 347.35 | Num_heavy_atoms: | 23 |
| TPSA: | 150.72 | 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 |
AD07935
Formula: C4H9O2NS
Smiles:
CNS(=O)(=O)C1CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 135.19 | Num_heavy_atoms: | 8 |
| TPSA: | 46.17 | NumAromaticRings: | 0 |
