Heinsiagenin A; 3-O-β-D-Xylopyranoside
AlkaPlorer ID: AK300091
Synonym: Mussaendoside B
IUPAC Name: (2E,4E)-N-(4,5-dimethyl-2-oxooxolan-3-yl)-2-methyl-6-[7,7,12,16-tetramethyl-6-(3,4,5-trihydroxyoxan-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(OC5OCC(O)C(O)C5O)CCC45CC35CCC12C)C(=O)NC1C(=O)OC(C)C1C
InChI: InChI=1S/C41H63NO8/c1-22(10-9-11-23(2)34(46)42-31-24(3)25(4)49-35(31)47)26-14-16-39(8)29-13-12-28-37(5,6)30(50-36-33(45)32(44)27(43)20-48-36)15-17-40(28)21-41(29,40)19-18-38(26,39)7/h9-11,22,24-33,36,43-45H,12-21H2,1-8H3,(H,42,46)/b10-9+,23-11+
InChIKey: VVXAKUNLRWMLKO-BPOMRKRMSA-N
Reference
CAS: 136133-06-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mussaenda pubescens | Mussaenda | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 697.9540000000002
TPSA？: 134.54999999999998
MolLogP？: 5.454500000000005
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|