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name Structure Reference Source Properties Activities Metabolism

[(2R,3S,4S,5R,6S)-6-{[(2S,3R,4R,5R,6S)-2-{4-[(2S,11R)-11-(acetyloxy)-9-[(2S)-2-methylbutanoyl]-4-oxo-1,5,9-triazacyclotridecan-2-yl]phenoxy}-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl propanoate

AlkaPlorer ID: AK039225

Synonym: None

IUPAC Name: [(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[4-[(2S,11R)-11-acetyloxy-9-[(2S)-2-methylbutanoyl]-4-oxo-1,5,9-triazacyclotridec-2-yl]phenoxy]-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl propanoate

Structure

SMILES: CCC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC=C([C@@H]4CC(O)=NCCCN(C(=O)[C@@H](C)CC)C[C@H](OC(C)=O)CCN4)C=C3)O[C@@H](C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

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InChI: InChI=1S/C38H59N3O15/c1-6-20(3)36(50)41-16-8-14-40-28(43)17-26(39-15-13-25(18-41)53-22(5)42)23-9-11-24(12-10-23)54-38-35(33(48)30(45)21(4)52-38)56-37-34(49)32(47)31(46)27(55-37)19-51-29(44)7-2/h9-12,20-21,25-27,30-35,37-39,45-49H,6-8,13-19H2,1-5H3,(H,40,43)/t20-,21-,25+,26-,27+,30-,31+,32-,33+,34+,35+,37-,38-/m0/s1

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InChIKey: HYYBIMNJVBENSP-OVTUXNDRSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Meehania urticifolia Meehania Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 797.8960000000006

TPSA？: 255.6

MolLogP？: 0.2555000000000054

Number of H-Donors: 7

Number of H-Acceptors: 16

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information