Glycoside
GD153600
Name:
6'-O-Acetylpseudolaric Acid B O-Beta-D-GlucopyranosideFormula:
C31H40O14Smiles:
COC(=O)C1=CCC23CCC(C(C)(C=CC=C(C)C(=O)OC4OC(COC(C)=O)C(O)C(O)C4O)OC2=O)C3(OC(C)=O)CC1Aglycone:
COC(=O)C1=CCC23CCC(C(C)(C=CC=C(C)C(=O)O)OC2=O)C3(OC(C)=O)CC1.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 8 |
| MolWt: | 636.65 | Num_heavy_atoms: | 45 |
| TPSA: | 201.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD15730
Formula: C23H28O8
Smiles:
COC(=O)C1=CCC23CCC(C(C)(C=CC=C(C)C(=O)O)OC2=O)C3(OC(C)=O)CC1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 432.47 | Num_heavy_atoms: | 31 |
| TPSA: | 116.2 | NumAromaticRings: | 0 |
