None

AlkaPlorer ID: AK472328

Synonym: None

IUPAC Name: [(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[[(10R)-10-acetyloxy-8-[(2S)-2-methylbutanoyl]-3-oxo-1,4,8-triazacyclotridec-1-yl]oxy]-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-2-methylbut-2-enoate

Structure

SMILES: C/C=C(\C)C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](ON3CCC[C@@H](OC(C)=O)CN(C(=O)[C@@H](C)CC)CCCN=C(O)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/C34H57N3O15/c1-7-18(3)31(45)36-13-10-12-35-24(39)16-37(14-9-11-22(15-36)49-21(6)38)52-34-30(28(43)25(40)20(5)48-34)51-33-29(44)27(42)26(41)23(50-33)17-47-32(46)19(4)8-2/h8,18,20,22-23,25-30,33-34,40-44H,7,9-17H2,1-6H3,(H,35,39)/b19-8+/t18-,20-,22+,23+,25-,26+,27-,28+,29+,30+,33-,34-/m0/s1

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InChIKey: NVNAEBHFBQFFBJ-DNHAENHKSA-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: 747.8360000000007

TPSA: 246.81

MolLogP: -0.6643999999999928

Number of H-Donors: 6

Number of H-Acceptors: 16

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information