Glycoside
GD018246
Name:
Mandelalide BFormula:
C37H58O13Smiles:
CCCC(=O)O[C@@H]1C[C@@H]2C[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3OC)C[C@H](C[C@H](C)C=CC=CC[C@@H]3O[C@H](C[C@H]3C)[C@H](O)C[C@@H]3C[C@@]1(O)C(=O)O3)O2Aglycone:
CCCC(=O)OC1CC2CC(O)CC(CC(C)C=CC=CCC3OC(CC3C)C(O)CC3CC1(O)C(=O)O3)O2Sugarmoiety:
COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 710.86 | Num_heavy_atoms: | 50 |
| TPSA: | 179.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD12907
Formula: C30H46O9
Smiles:
CCCC(=O)OC1CC2CC(O)CC(CC(C)C=CC=CCC3OC(CC3C)C(O)CC3CC1(O)C(=O)O3)O2| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 550.69 | Num_heavy_atoms: | 39 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
