Glycoside
GD037496
Name:
NoneFormula:
C35H50O15Smiles:
CC(=CCO)CCC=C(C)C(=O)O[C@@H]1[C@@H]2O[C@@]2(CO)[C@@H]2[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)OC=C[C@@]12OC(=O)C(C)=CCCC(C)=CCOAglycone:
CC(=CCO)CCC=C(C)C(=O)OC1C2OC2(CO)C2C(O)OC=CC12OC(=O)C(C)=CCCC(C)=CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.66 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 16 |
| MolWt: | 710.77 | Num_heavy_atoms: | 50 |
| TPSA: | 234.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD23612
Formula: C29H40O10
Smiles:
CC(=CCO)CCC=C(C)C(=O)OC1C2OC2(CO)C2C(O)OC=CC12OC(=O)C(C)=CCCC(C)=CCO| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 13 |
| MolWt: | 548.63 | Num_heavy_atoms: | 39 |
| TPSA: | 155.28 | NumAromaticRings: | 0 |
