Glycoside
GD002718
Name:
NoneFormula:
C43H70O9N3F3Smiles:
CCCCCCCCCCCCCC=C[C@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCOc1cccc(C2(C(F)(F)F)N=N2)c1Aglycone:
CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCCCOc1cccc(C2(C(F)(F)F)N=N2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | 7.68 | Num_rotatable_bonds: | 32 |
| MolWt: | 830.04 | Num_heavy_atoms: | 58 |
| TPSA: | 182.66 | NumAromaticRings: | 1 |
Unique Aglycone
AD02559
Formula: C37H60O4N3F3
Smiles:
CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCCCOc1cccc(C2(C(F)(F)F)N=N2)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 9.85 | Num_rotatable_bonds: | 29 |
| MolWt: | 667.9 | Num_heavy_atoms: | 47 |
| TPSA: | 103.51 | NumAromaticRings: | 1 |
