None

AlkaPlorer ID: AK439184

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 butanoate

Structure

SMILES: CCCC(=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

copy

InChI: InChI=1S/C33H57N3O15/c1-6-10-24(39)46-17-22-26(41)27(42)29(44)32(49-22)50-30-28(43)25(40)19(4)47-33(30)51-36-14-8-11-21(48-20(5)37)15-35(31(45)18(3)7-2)13-9-12-34-23(38)16-36/h18-19,21-22,25-30,32-33,40-44H,6-17H2,1-5H3,(H,34,38)/t18-,19-,21+,22+,25-,26+,27-,28+,29+,30+,32-,33-/m0/s1

copy

InChIKey: KWJSITCQAQAFKI-CFHVKRAUSA-N

copy

Source

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

Properties Information

Molecule Weight: 735.8250000000007

TPSA: 246.81

MolLogP: -0.8304999999999925

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