Glycoside
GD035884
Name:
NoneFormula:
C33H44O10Smiles:
CC(=CCCC(C)=CCC[C@@]1(C)CCc2cc(O[C@@H]3O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@H]3O)cc(C)c2O1)CCC=C(C)C(=O)[O-]Aglycone:
CC(=CCCC(C)=CCCC1(C)CCc2cc(O)cc(C)c2O1)CCC=C(C)C(=O)[O-]Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 13 |
| MolWt: | 600.71 | Num_heavy_atoms: | 43 |
| TPSA: | 168.64 | NumAromaticRings: | 1 |
Unique Aglycone
AD22674
Formula: C27H37O4
Smiles:
CC(=CCCC(C)=CCCC1(C)CCc2cc(O)cc(C)c2O1)CCC=C(C)C(=O)[O-]| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.52 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 10 |
| MolWt: | 425.59 | Num_heavy_atoms: | 31 |
| TPSA: | 69.59 | NumAromaticRings: | 1 |
