Glycoside
GD099520
Name:
NoneFormula:
C21H24O10NFSmiles:
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccc(F)cc2)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.NC(=O)c1ccc(F)cc1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.48 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 469.42 | Num_heavy_atoms: | 33 |
| TPSA: | 143.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD42286
Formula: C7H6ONF
Smiles:
NC(=O)c1ccc(F)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 139.13 | Num_heavy_atoms: | 10 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
