Glycoside
GD112305
Name:
NoneFormula:
C33H52O9Smiles:
CC[C@@H]1CCC[C@H](O)[C@H](C)C(=O)[C@@H]2C[C@H]3[C@@H]4C[C@@H](O[C@@H]5O[C@H](C)[C@H](OC)[C@H](OC)[C@@H]5OC)C[C@H]4C=C[C@@H]3[C@H]2CC(=O)O1Aglycone:
CCC1CCCC(O)C(C)C(=O)C2CC3C(C=CC4CC(O)CC43)C2CC(=O)O1Sugarmoiety:
COC1C(C)OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 592.77 | Num_heavy_atoms: | 42 |
| TPSA: | 109.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD44764
Formula: C24H36O5
Smiles:
CCC1CCCC(O)C(C)C(=O)C2CC3C(C=CC4CC(O)CC43)C2CC(=O)O1| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 404.55 | Num_heavy_atoms: | 29 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
