Glycoside
GD077565
Name:
NoneFormula:
C19H25O8NSmiles:
CO[C@H]1[C@H](NC(=O)c2ccccc2)[C@H](OC)O[C@@H](COC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.NC(=O)c1ccccc1Sugarmoiety:
COC1OC(O)C(OC(C)=O)C(OC)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 395.41 | Num_heavy_atoms: | 28 |
| TPSA: | 109.39 | 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 |
AD01413
Formula: C7H7ON
Smiles:
NC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 121.14 | Num_heavy_atoms: | 9 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
