Glycoside
GD004505
Name:
NoneFormula:
C31H30O10N5F3Smiles:
CCCC(C)OC(=O)c1cnn(-c2ccc(-n3cc(-c4cccc(C(=O)O[C@@H]5O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]5O)c4)nn3)cc2)c1C(F)(F)FAglycone:
CCCC(C)OC(=O)c1cnn(-c2ccc(-n3cc(-c4cccc(C(=O)O)c4)nn3)cc2)c1C(F)(F)FSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 10 |
| MolWt: | 689.6 | Num_heavy_atoms: | 49 |
| TPSA: | 208.35 | NumAromaticRings: | 4 |
Unique Aglycone
AD03926
Formula: C25H22O4N5F3
Smiles:
CCCC(C)OC(=O)c1cnn(-c2ccc(-n3cc(-c4cccc(C(=O)O)c4)nn3)cc2)c1C(F)(F)F| HBA: | 9 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 5.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 513.48 | Num_heavy_atoms: | 37 |
| TPSA: | 112.13 | NumAromaticRings: | 4 |
