Glycoside
GD108308
Name:
Aloe C-GlucosylchromoneFormula:
C29H32O10Smiles:
COc1cc(C)c2c(=O)cc(C[C@@H](C)O)oc2c1[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1OC(=O)/C=C/c1ccccc1Aglycone:
COc1cc(C)c2c(=O)cc(CC(C)O)oc2c1.O=C(O)C=Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 540.57 | Num_heavy_atoms: | 39 |
| TPSA: | 155.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD17365
Formula: C14H16O4
Smiles:
COc1cc(C)c2c(=O)cc(CC(C)O)oc2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 248.28 | Num_heavy_atoms: | 18 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
