Glycoside
GD028548
Name:
NoneFormula:
C26H40O10Smiles:
C[C@]1(C(=O)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CCC[C@@]2(C)[C@H](CCC3=CCOC3=O)[C@](C)(O)CC[C@@H]12Aglycone:
CC1(O)CCC2C(C)(C(=O)O)CCCC2(C)C1CCC1=CCOC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 512.6 | Num_heavy_atoms: | 36 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD18639
Formula: C20H30O5
Smiles:
CC1(O)CCC2C(C)(C(=O)O)CCCC2(C)C1CCC1=CCOC1=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 350.46 | Num_heavy_atoms: | 25 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
