Glycoside
GD114557
Name:
NoneFormula:
C18H22O9N4SSmiles:
COc1cc(N(C2OC(C(=O)O)C(O)C(O)C2O)S(=O)(=O)c2ccc(N)cc2)nc(C)n1Aglycone:
COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 470.46 | Num_heavy_atoms: | 32 |
| TPSA: | 205.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD45132
Formula: C12H14O3N4S
Smiles:
COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 294.34 | Num_heavy_atoms: | 20 |
| TPSA: | 107.2 | NumAromaticRings: | 2 |
