Glycoside
GD005869
Name:
NoneFormula:
C30H28O9N3FSSmiles:
O=C(O)[C@@H]1O[C@H](Oc2ccc([C@@H]3[C@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3cccc4nsnc34)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(O)cc2)N1c1cccc2nsnc12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 625.63 | Num_heavy_atoms: | 44 |
| TPSA: | 182.77 | NumAromaticRings: | 4 |
Unique Aglycone
AD04919
Formula: C24H20O3N3FS
Smiles:
O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(O)cc2)N1c1cccc2nsnc12| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 449.51 | Num_heavy_atoms: | 32 |
| TPSA: | 86.55 | NumAromaticRings: | 4 |
