Glycoside
GD013158
Name:
NoneFormula:
C37H58O9Smiles:
CCCCCC(=O)O[C@@H]1C[C@]2(C)C(=CC[C@H]2[C@]2(O)C[C@H]([C@H](O)C(C)(C)O)O[C@H]2OC)[C@@]2(C)[C@@H]1[C@]1(C)C=CC(=O)C(C)(C)[C@H]1C[C@H]2OAglycone:
CC(C)(O)CO.CCCCCC(=O)OC1CC2(C)CCC=C2C2(C)C(O)CC3C(C)(C)C(=O)C=CC3(C)C12Sugarmoiety:
COC1OC(O)CC1(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 4.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 646.86 | Num_heavy_atoms: | 46 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD09854
Formula: C4H10O2
Smiles:
CC(C)(O)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 90.12 | Num_heavy_atoms: | 6 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
AD09855
Formula: C28H42O4
Smiles:
CCCCCC(=O)OC1CC2(C)CCC=C2C2(C)C(O)CC3C(C)(C)C(=O)C=CC3(C)C12| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.79 |
| AlogP: | 5.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 442.64 | Num_heavy_atoms: | 32 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
