Solamargine

(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

CAS: 20311-51-7

Molecular Formula	`C45H73NO15`
Molecular Weight	868.1 g/mol
LogP	1.1
Topological Polar Surface Area	238.0 A2
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	16
Rotatable Bonds	7
Exact Mass	867.49805
Heavy Atoms	61
Complexity	1610.0

Chemical Identifiers

CAS Number	20311-51-7
SMILES	`CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1`
InChIKey	`MBWUSSKCCUMJHO-ZGXDEBHDSA-N`

📖 Product Overview

Solamargine (CAS: 20311-51-7) is a chemical compound with molecular formula C45H73NO15 and molecular weight 868.1 g/mol. Its IUPAC systematic name is (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol. LogP 1.1 Topological Polar Surface Area 238.0 A2 Hydrogen Bond Donors 9 Hydrogen Bond Acceptors 16 Rotatable Bonds 7 Exact Mass 867.49805 Heavy Atoms 61 Complexity 1610.0 InChI Key: MBWUSSKCCUMJHO-ZGXDEBHDSA-N. SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1.

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