Glycoside
GD016211
Name:
NoneFormula:
C36H41O12NF2Smiles:
O=C1[C@H](CCCc2ccc(F)cc2)[C@H](c2ccc(O[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cc2)N1c1ccc(F)cc1Aglycone:
O=C1C(CCCc2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 12 |
| MolWt: | 717.72 | Num_heavy_atoms: | 51 |
| TPSA: | 198.84 | NumAromaticRings: | 3 |
Unique Aglycone
AD11702
Formula: C24H21O2NF2
Smiles:
O=C1C(CCCc2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 5.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 393.43 | Num_heavy_atoms: | 29 |
| TPSA: | 40.54 | NumAromaticRings: | 3 |
