Glycoside
GD101566
Name:
NoneFormula:
C20H25O10N2FSmiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cc(F)c(=O)n(C)c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Cn1cc(N)cc(F)c1=OSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 472.42 | Num_heavy_atoms: | 33 |
| TPSA: | 148.46 | 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 |
AD25768
Formula: C6H7ON2F
Smiles:
Cn1cc(N)cc(F)c1=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 0 |
| MolWt: | 142.13 | Num_heavy_atoms: | 10 |
| TPSA: | 48.02 | NumAromaticRings: | 1 |
