CNP0226070.2

CNP0226070.2 · C38H60O13 · View on COCONUT ↗

2D Structure

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Identifiers

COCONUT ID	CNP0226070.2
InChIKey	UICISBFFBJCOCZ-QPRBSCFXSA-N
InChI	InChI=1S/C38H60O13/c1-18(40)49-17-38-20(14-33(2,3)29(45)30(38)46)19-8-9-22-34(4)12-11-24(50-32-27(44)25(42)26(43)28(51-32)31(47)48)35(5,16-39)21(34)10-13-36(22,6)37(19,7)15-23(38)41/h8,20-30,32,39,41-46H,9-17H2,1-7H3,(H,47,48)/t20-,21+,22+,23-,24-,25-,26-,27+,28-,29-,30-,32+,34-,35-,36+,37+,38-/m0/s1
SMILES	CC(=O)OC[C@@]12[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]1CC(C)(C)[C@@H](O)[C@@H]2O

Properties

Molecular Formula	C38H60O13
Molecular Weight	724.88
Exact Mass	724.40339
Log P (ALogP)	1.51
TPSA	223.67
H-Bond Donors / Acceptors	8 / 12
Rotatable Bonds	6
Lipinski's Rule of 5 Violations	3
QED Drug-likeness	0.11
NP-likeness	3.03

Classification

NP Pathway	Terpenoids
NP Superclass	Triterpenoids
NP Class	Oleanane triterpenoids
Chemical Superclass
Chemical Class
Chemical Subclass

Reported in GR-MAPs Plants

Gymnema sylvester	as “Gymnema sylvestre” in COCONUT

References (5)

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.

COCONUT Compound