Glycoside
GD131654
Name:
NoneFormula:
C23H32O16Smiles:
Cc1occc(=O)c1OC1OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C1OC1OCC(O)(CO)C1OAglycone:
COC(=O)CC(C)(O)CC(=O)O.Cc1occc(=O)c1OSugarmoiety:
OCC1(O)COC(OC2C(O)OC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.7 |
| AlogP: | -3.24 | Num_rotatable_bonds: | 11 |
| MolWt: | 564.49 | Num_heavy_atoms: | 39 |
| TPSA: | 252.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD01854
Formula: C7H12O5
Smiles:
COC(=O)CC(C)(O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
AD12565
Formula: C6H6O3
Smiles:
Cc1occc(=O)c1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 50.44 | NumAromaticRings: | 1 |
