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name Structure Reference Source Properties Activities Metabolism

[(1S,3R,13S,14R,17S,18R,19R,20S,21S,23R,24R,25S)-18,21-bis(acetyloxy)-19,24,25-trihydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7(12),8,10-trien-20-yl]methyl acetate

AlkaPlorer ID: AK239923

Synonym: None

IUPAC Name: [(1S,3R,13S,14R,17S,18R,19R,20S,21S,23R,24R,25S)-18,21-diacetyloxy-19,24,25-trihydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl acetate

Structure

SMILES: CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](O)[C@@]14O[C@@]3(C)COC(=O)C1=CC=CN=C1[C@@H](C)[C@@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2O)[C@]4(C)O

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InChI: InChI=1S/C32H39NO15/c1-13-14(2)27(40)47-26-22(45-16(4)35)24(39)31(12-43-15(3)34)25(46-17(5)36)21(37)19-23(38)32(31,30(26,7)42)48-29(19,6)11-44-28(41)18-9-8-10-33-20(13)18/h8-10,13-14,19,22-26,38-39,42H,11-12H2,1-7H3/t13-,14+,19+,22+,23+,24-,25+,26-,29-,30-,31-,32-/m0/s1

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InChIKey: JUOGTZKUPTXORV-XEYPTYAPSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Euonymus europaeus Euonymus Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 677.6560000000004

TPSA？: 231.38

MolLogP？: -0.4706999999999965

Number of H-Donors: 3

Number of H-Acceptors: 16

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information