Glycoside
GD025622
Name:
NoneFormula:
C35H52O11Smiles:
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](C)O[C@H](OCCO[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]2C(C)=O)[C@@H]1OC(C)=OAglycone:
CC(=O)C1C(OCCO)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 4.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 648.79 | Num_heavy_atoms: | 46 |
| TPSA: | 143.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD04089
Formula: C23H36O4
Smiles:
CC(=O)C1C(OCCO)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 376.54 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
