Glycoside
GD013923
Name:
NoneFormula:
C36H52O13Smiles:
CCC1=CC(=O)C2=CC(=O)O[C@H](O[C@@H]3O[C@H](COC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]3OC(=O)C(C)(C)C)[C@H]12Aglycone:
CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CCC1=CC(=O)C2=CC(=O)OC(O)C12.COC(=O)C(C)(C)CSugarmoiety:
OCC1OC(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.72 |
| AlogP: | 4.54 | Num_rotatable_bonds: | 8 |
| MolWt: | 692.8 | Num_heavy_atoms: | 49 |
| TPSA: | 167.03 | NumAromaticRings: | 0 |
Unique Aglycone
AD03091
Formula: C5H10O2
Smiles:
CC(C)(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD03093
Formula: C6H12O2
Smiles:
COC(=O)C(C)(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 0 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD10319
Formula: C10H10O4
Smiles:
CCC1=CC(=O)C2=CC(=O)OC(O)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
