Glycoside
GD006249
Name:
NoneFormula:
C18H21O5N3F2Smiles:
O=C(Nc1ccc(F)c(F)c1)[C@H](O)[C@H](O)C(=O)N1CCC2(CCNC2=O)CC1Aglycone:
Nc1ccc(F)c(F)c1.O=C1NCCC12CCNCC2Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 397.38 | Num_heavy_atoms: | 28 |
| TPSA: | 118.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD05175
Formula: C8H14ON2
Smiles:
O=C1NCCC12CCNCC2| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 154.21 | Num_heavy_atoms: | 11 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
AD05186
Formula: C6H5NF2
Smiles:
Nc1ccc(F)c(F)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 0 |
| MolWt: | 129.11 | Num_heavy_atoms: | 9 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
