Glycoside
GD129030
Name:
Hexaacetate Formosinoside DerivativeFormula:
C28H36O17Smiles:
CC(=O)OCC1C=CC2C(C(=O)O)C(OC(C)=O)OC(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C12Aglycone:
CC(=O)OCC1C=CC2C(C(=O)O)C(OC(C)=O)OC(O)C12.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.68 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 11 |
| MolWt: | 644.58 | Num_heavy_atoms: | 45 |
| TPSA: | 222.79 | NumAromaticRings: | 0 |
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 |
AD52262
Formula: C14H18O8
Smiles:
CC(=O)OCC1C=CC2C(C(=O)O)C(OC(C)=O)OC(O)C12| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 314.29 | Num_heavy_atoms: | 22 |
| TPSA: | 119.36 | NumAromaticRings: | 0 |
