Cassane diterpenoids with α-glucosidase inhibitory activity from the fruits of Pterolobium macropterum

Sarot Cheenpracha, Ratchanaporn Chokchaisiri, Lucksagoon Ganranoo, Sareeya Bureekaew, Thunwadee Limtharakul and Surat Laphookhieo

Beilstein J. Org. Chem. 2023, 19, 658–665. https://doi.org/10.3762/bjoc.19.47

Downloads

Figure 1

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₄₄H₆₀O₉
Molecular Weight	732.94 g/mol
Exact Mass	732.4237 Da
InChI	InChI=1S/C44H60O9/c1-21(45)49-30-17-23-24-16-27-34-33(32(24)29(47)18-25(23)40(7)14-10-12-38(3,4)35(30)40)37(48)52-43(51-34)20-28-26(42(9)44(27,43)53-42)19-31(50-22(2)46)36-39(5,6)13-11-15-41(28,36)8/h23,25-28,30-31,33-36H,10-20H2,1-9H3/t23-,25-,26+,27-,28-,30+,31+,33+,34-,35-,36-,40+,41+,42+,43-,44+/m0/s1
InChIKey	RBDTWDKMSOBLBX-BYNAMZSISA-N
SMILES	CC(=O)O[C@@H]1C[C@@]2([H])C3=C(C(=O)C[C@]2([H])[C@@]4(C)CCCC(C)(C)[C@]14[H])[C@@H]5[C@@H]6[C@]([H])(C3)[C@@]78[C@@](C)([C@]9([H])C[C@H]([C@@]%10([H])C(C)(C)CCC[C@]%10(C)[C@@]9([H])C[C@]7(O6)OC5=O)OC(=O)C)O8
Number of Atoms	113
Number of H-Bond Acceptors	9
Number of H-Bond Donors	0
Atoms in the Largest π-System	4
XLogP	8.3

Operator	Resulting query
aromatic	the word “aromatic”
aromatic aldehyde	the word “aromatic” OR “aldehyde”
+aromatic +aldehyde	both words “aromatic” AND “aldehyde”
+aromatic -aldehyde	the word “aromatic” but NOT “aldehyde”
“aromatic aldehyde”	the exact phrase “aromatic aldehyde”
benz*	words which begin with “benz”, such as “benzene” or “benzyl”
benz*yl	words that begin with “benz” and end with “yl”, such as “benzyl” or “benzoyl”
benzyl~	words that are close to the word “benzyl”, such as “benzoyl” (i.e., fuzzy search)