Glycoside
GD013823
Name:
NoneFormula:
C41H46O16N5F17Smiles:
O=C1CCC(N2C(=O)c3ccc(NCCCCC(NC(=O)[C@H](O)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)CO)C(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3C2=O)C(=O)N1Aglycone:
[NH]C(CCCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)FSugarmoiety:
O=CC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)COOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.71 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 26 |
| MolWt: | 1187.8 | Num_heavy_atoms: | 79 |
| TPSA: | 334.08 | NumAromaticRings: | 1 |
Unique Aglycone
AD10255
Formula: C29H25O5N5F17
Smiles:
[NH]C(CCCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 5.84 | Num_rotatable_bonds: | 17 |
| MolWt: | 846.52 | Num_heavy_atoms: | 56 |
| TPSA: | 148.48 | NumAromaticRings: | 1 |
