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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)-4-oxo-9-propanoyl-1,5,9-triazacyclotridecan-2-yl]phenoxy}-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2S)-2-methylbutanoate

AlkaPlorer ID: AK127883

Synonym: None

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

Structure

SMILES: CCC(=O)N1CCCN=C(O)C[C@@H](C2=CC=C(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@H](COC(=O)[C@@H](C)CC)[C@@H](O)[C@H](O)[C@H]3O)C=C2)NCC[C@@H](OC(C)=O)C1

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InChI: InChI=1S/C38H59N3O15/c1-6-20(3)36(50)51-19-27-31(46)32(47)34(49)37(55-27)56-35-33(48)30(45)21(4)52-38(35)54-24-11-9-23(10-12-24)26-17-28(43)40-14-8-16-41(29(44)7-2)18-25(13-15-39-26)53-22(5)42/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: HPTAIZCGFPPBIX-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: 797.8960000000001

TPSA？: 255.6

MolLogP？: 0.2555000000000063

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