Glycoside
GD001993
Name:
NoneFormula:
C16H19O10N4SSmiles:
O=C(Nc1c(O)nc(O)nc1NC[C@H](O)[C@H](O)[C@H](O)CO)c1ccc(S(=O)(=O)[O-])cc1Aglycone:
CNc1nc(O)nc(O)c1NC(=O)c1ccc(S(=O)(=O)[O-])cc1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.31 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 459.41 | Num_heavy_atoms: | 31 |
| TPSA: | 245.49 | NumAromaticRings: | 2 |
Unique Aglycone
AD01940
Formula: C12H11O6N4S
Smiles:
CNc1nc(O)nc(O)c1NC(=O)c1ccc(S(=O)(=O)[O-])cc1| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.08 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 339.31 | Num_heavy_atoms: | 23 |
| TPSA: | 164.57 | NumAromaticRings: | 2 |
