Rhoeadine; (+)-form, 8,14-Diepimer, O-de-Me, O-α-D-glucopyranoside 

AlkaPlorer ID: AK312479

Synonym: Alkaloid RC

IUPAC Name: 2-(hydroxymethyl)-6-[(13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.02,10.04,8.015,23.018,22]pentacosa-2,4(8),9,15(23),16,18(22)-hexaen-24-yl)oxy]oxane-3,4,5-triol

Structure

SMILES: CN1CCC2=CC3=C(C=C2C2OC(OC4OC(CO)C(O)C(O)C4O)C4=C5OCOC5=CC=C4C21)OCO3

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InChI: InChI=1S/C26H29NO11/c1-27-5-4-11-6-15-16(34-9-33-15)7-13(11)23-19(27)12-2-3-14-24(35-10-32-14)18(12)25(37-23)38-26-22(31)21(30)20(29)17(8-28)36-26/h2-3,6-7,17,19-23,25-26,28-31H,4-5,8-10H2,1H3

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InChIKey: LOJGKLLTOGPATF-UHFFFAOYSA-N

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Reference

PubChem CID: 131750861

COCONUT: CNP0300386.1

Properties Information

Molecule Weight: 531.5140000000002

TPSA: 148.76999999999998

MolLogP: 0.2595999999999998

Number of H-Donors: 4

Number of H-Acceptors: 12

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information