methyl 5-ethenyl-2-hydroxy-4-({9H-pyrido[3,4-b]indol-1-yl}methyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3-carboxylate
AlkaPlorer ID: AK441240
Synonym: None
IUPAC Name: methyl (2R,3R,4S,5S,6R)-5-ethenyl-2-hydroxy-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-6-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3-carboxylate
Structure
SMILES: C=C[C@@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H](O)[C@H](C(=O)OC)[C@H]1CC1=NC=CC2=C1NC1=CC=CC=C12
InChI: InChI=1S/C27H32N2O10/c1-3-12-15(10-17-20-14(8-9-28-17)13-6-4-5-7-16(13)29-20)19(24(34)36-2)25(35)38-26(12)39-27-23(33)22(32)21(31)18(11-30)37-27/h3-9,12,15,18-19,21-23,25-27,29-33,35H,1,10-11H2,2H3/t12-,15-,18-,19-,21-,22+,23-,25+,26+,27+/m0/s1
InChIKey: LBJJHUBUAOVWBI-GDTFFSCFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Palicourea alpina | Palicourea | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 544.5570000000002
TPSA？: 183.82
MolLogP？: -0.0425999999999988
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|