Glycoside
GD036592
Name:
NoneFormula:
C35H50O15Smiles:
C=C[C@@](C)(O)CCC=C(C)C(=O)O[C@@]12C=CO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]1[C@]1(CO)O[C@H]1[C@H]2OC(=O)C(C)=CCCC(C)=CCOAglycone:
C=CC(C)(O)CCC=C(C)C(=O)OC12C=COC(O)C1C1(CO)OC1C2OC(=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
AD23068
Formula: C29H40O10
Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC12C=COC(O)C1C1(CO)OC1C2OC(=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 |
