PDND
Phytochemical Database for Neurological Disorders
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Phytochemical Name : Edpetiline
PCNDIDE0004
Pubchem CID : 90479257
Molecular formula: C33H53NO8

Molecular weight : 591.800

Canonical SMILES : CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)(C)O

Synonymes : Edpetiline|32685-93-1|Sipeimine-3beta-D-glucoside|Verticinone 3-beta-D-glucoside|Sipeimine-3ss-D-glucoside|UNII-F85B5IO5AT|F85B5IO5AT|Cevan-6-one, 3-(beta-D-glucopyranosyloxy)-20-hydroxy-, (3beta,5alpha)-|(1R,2S,6S,9S,10S,11S,14S,15S,18S,20S,23R,24S)-10-hydroxy-6,10,23-trimethyl-20-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one|Sipeimine-3b-D-glucoside|HY-N1921|SIPEIMINE-3| cent-D-GLUCOSIDE|AC-34885|AS-76732|VERTICINONE 3-.BETA.-D-GLUCOSIDE|CS-0018232|Q27277798|CEVAN-6-ONE, 3-(.BETA.-D-GLUCOPYRANOSYLOXY)-20-HYDROXY-, (3.BETA.,5.ALPHA.)-|(1R,2S,6S,9S,10S,11S,14S,15S,18S,20S,23R,24S)-10-hydroxy-6,10,23-trimethyl-20-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-azahexacyclo[12.11.0.0,.0,.0,.0,]pentacosan-17-one|(3S,4aS,6aS,6bS,8aS,9S,9aS,12S,15aS,15bR,16aS,16bR)-9-hydroxy-9,12,16b-trimethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)docosahydrobenzo[4,5]indeno[1,2-h]pyrido[1,2-b]isoquinolin-5(1H)-one

Structure
3D structure 2D structure
90479257
Predicted properties (NCBI Pubchem)

Physicochemical Properties