Heinsiagenin A; 3-O-β-D-Glucopyranoside
AlkaPlorer ID: AK300077
Synonym: Mussaendoside A
IUPAC Name: (2E,4E)-N-(4,5-dimethyl-2-oxooxolan-3-yl)-2-methyl-6-[7,7,12,16-tetramethyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hepta-2,4-dienamide
Structure
SMILES: C/C(=C\C=C\C(C)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12C)C(=O)NC1C(=O)OC(C)C1C
InChI: InChI=1S/C42H65NO9/c1-22(10-9-11-23(2)35(48)43-31-24(3)25(4)50-36(31)49)26-14-16-40(8)29-13-12-28-38(5,6)30(52-37-34(47)33(46)32(45)27(20-44)51-37)15-17-41(28)21-42(29,41)19-18-39(26,40)7/h9-11,22,24-34,37,44-47H,12-21H2,1-8H3,(H,43,48)/b10-9+,23-11+
InChIKey: XLJMUXPIKKVVTO-BPOMRKRMSA-N
Reference
CAS: 136133-05-6
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mussaenda pubescens | Mussaenda | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 727.98
TPSA？: 154.78
MolLogP？: 4.815400000000003
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|