Glycoside
GD112689
Name:
NoneFormula:
C29H21O8N2F3Smiles:
O=C(OC[C@H]1O[C@@H](c2nnc(C(F)(F)F)o2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1Aglycone:
COC(=O)c1ccccc1.FC(F)(F)c1nnco1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.21 |
| AlogP: | 4.84 | Num_rotatable_bonds: | 8 |
| MolWt: | 582.49 | Num_heavy_atoms: | 42 |
| TPSA: | 127.05 | NumAromaticRings: | 4 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD44790
Formula: C3HON2F3
Smiles:
FC(F)(F)c1nnco1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 138.05 | Num_heavy_atoms: | 9 |
| TPSA: | 38.92 | NumAromaticRings: | 1 |
