Glycoside
GD016740
Name:
NoneFormula:
C22H24O9Smiles:
CC(=O)OC[C@@H]1O[C@H](C#Cc2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
C#Cc1ccccc1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.45 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 432.43 | Num_heavy_atoms: | 31 |
| TPSA: | 114.43 | 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 |
AD12015
Formula: C8H6
Smiles:
C#Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 0 |
| MolWt: | 102.14 | Num_heavy_atoms: | 8 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
