Glycoside
GD152658
Name:
F-16438 FFormula:
C45H68O21Smiles:
CC(=O)OC(C(=O)OC(C)CCCCCCCCCCCCCCCC(=O)Cc1cccc(O)c1C(=O)O)C(O)C(O)C(COC(=O)CC(=O)O)OC1OC(CO)C(O)C(O)C1OC(C)=OAglycone:
CCCCCCCCCCCCCCCCCC(=O)Cc1cccc(O)c1C(=O)O.O=CCC(=O)OSugarmoiety:
CC(=O)OC(C(=O)OO)C(O)C(O)C(COO)OC1OC(CO)C(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 33 |
| MolWt: | 945.02 | Num_heavy_atoms: | 66 |
| TPSA: | 336.71 | NumAromaticRings: | 1 |
Unique Aglycone
AD54256
Formula: C26H42O4
Smiles:
CCCCCCCCCCCCCCCCCC(=O)Cc1cccc(O)c1C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 7.46 | Num_rotatable_bonds: | 19 |
| MolWt: | 418.62 | Num_heavy_atoms: | 30 |
| TPSA: | 74.6 | NumAromaticRings: | 1 |
AD55581
Formula: C3H4O3
Smiles:
O=CCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 88.06 | Num_heavy_atoms: | 6 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
