Glycoside
GD027582
Name:
NoneFormula:
C16H20O10N4SSmiles:
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: | 9 | FractionCSP3: | 0.31 |
| AlogP: | -2.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 460.42 | Num_heavy_atoms: | 31 |
| TPSA: | 242.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD18109
Formula: C12H12O6N4S
Smiles:
CNc1nc(O)nc(O)c1NC(=O)c1ccc(S(=O)(=O)O)cc1| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.08 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 340.32 | Num_heavy_atoms: | 23 |
| TPSA: | 161.74 | NumAromaticRings: | 2 |
