Glycoside
GD031566
Name:
JUNCEELLOSIDE GFormula:
C36H58O9Smiles:
CC(=O)O[C@@H]1[C@H](O[C@@H]2CC[C@]3(CO)C(=CC[C@H]4[C@@H]5CC[C@@H]([C@H](C)CCCC(C)(C)OC(C)=O)[C@]5(C)CC[C@H]43)C2)OC[C@H](O)[C@H]1OAglycone:
CC(=O)OC(C)(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(CO)C3CCC12CSugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 10 |
| MolWt: | 634.85 | Num_heavy_atoms: | 45 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD20324
Formula: C29H48O4
Smiles:
CC(=O)OC(C)(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(CO)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 460.7 | Num_heavy_atoms: | 33 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
