Glycoside
GD107082
Name:
NoneFormula:
C23H28O11N2SSmiles:
CCCCNc1cc(C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(S(N)(=O)=O)c1Oc1ccccc1Aglycone:
CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 10 |
| MolWt: | 540.55 | Num_heavy_atoms: | 37 |
| TPSA: | 214.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD44273
Formula: C17H20O5N2S
Smiles:
CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 364.42 | Num_heavy_atoms: | 25 |
| TPSA: | 118.72 | NumAromaticRings: | 2 |
