Glycoside
GD011414
Name:
Deacetylpseudolaric Acid A O-Beta-D-GlucopyranosideFormula:
C26H36O10Smiles:
CC1=CC[C@]23CC[C@H]([C@@]2(O)CC1)[C@@](C)(C=CC=C(C)C(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC3=OAglycone:
CC1=CCC23CCC(C(C)(C=CC=C(C)C(=O)O)OC2=O)C3(O)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 508.56 | Num_heavy_atoms: | 36 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD08731
Formula: C20H26O5
Smiles:
CC1=CCC23CCC(C(C)(C=CC=C(C)C(=O)O)OC2=O)C3(O)CC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.42 | Num_heavy_atoms: | 25 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
