Glycoside
GD013017
Name:
NoneFormula:
C26H40O8Smiles:
C[C@]1(C=CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@@H]2C(=CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@]23C)C1Aglycone:
CC1(C=CO)CCC2C(=CCC3C(C)(C(=O)O)CCCC23C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.6 | Num_heavy_atoms: | 34 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD09767
Formula: C20H30O3
Smiles:
CC1(C=CO)CCC2C(=CCC3C(C)(C(=O)O)CCCC23C)C1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 5.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
