Glycoside
GD001494
Name:
NoneFormula:
C13H17O7N5SSmiles:
Cn1cc(S(=O)(=O)NC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)cn1Aglycone:
CNS(=O)(=O)c1cnn(C)c1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | -3.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 387.37 | Num_heavy_atoms: | 26 |
| TPSA: | 168.54 | NumAromaticRings: | 2 |
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 |
AD01492
Formula: C5H9O2N3S
Smiles:
CNS(=O)(=O)c1cnn(C)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 175.21 | Num_heavy_atoms: | 11 |
| TPSA: | 63.99 | NumAromaticRings: | 1 |
