Glycoside
GD112810
Name:
NoneFormula:
C28H19O9NF6Smiles:
COC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)C(=O)O)c1Aglycone:
COC(=O)c1cccc(N)c1.O=Cc1cccc(C(F)(F)F)c1.O=Cc1cccc(C(F)(F)F)c1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 4.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 627.45 | Num_heavy_atoms: | 44 |
| TPSA: | 145.3 | NumAromaticRings: | 3 |
Unique Aglycone
AD44024
Formula: C8H9O2N
Smiles:
COC(=O)c1cccc(N)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 151.16 | Num_heavy_atoms: | 11 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
AD44686
Formula: C8H5OF3
Smiles:
O=Cc1cccc(C(F)(F)F)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 174.12 | Num_heavy_atoms: | 12 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
