Heinsiagenin A; 3-O-[α-L-Rhamnopyranosyl-(1→2)-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside]
AlkaPlorer ID: AK300086
Synonym: None
IUPAC Name: None
Structure
SMILES: C/C(=C/C=C/C(C)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC45CC35CCC12C)C(=O)NC1C(=O)OC(C)C1C
InChI: InChI=1S/C54H85NO18/c1-24(11-10-12-25(2)45(65)55-35-26(3)27(4)67-46(35)66)29-15-17-52(9)33-14-13-32-50(6,7)34(16-18-53(32)23-54(33,53)20-19-51(29,52)8)71-48-43(40(62)37(59)30(21-56)69-48)73-49-44(41(63)38(60)31(22-57)70-49)72-47-42(64)39(61)36(58)28(5)68-47/h10-12,24,26-44,47-49,56-64H,13-23H2,1-9H3,(H,55,65)/b11-10+,25-12-
InChIKey: ZTOQAAOUYNVPBT-DXKKIRORSA-N
Reference
CAS: 158754-08-6
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Heinsia | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Mussaenda | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1036.263
TPSA？: 292.85
MolLogP？: 1.4914000000000065
Number of H-Donors: 10
Number of H-Acceptors: 18
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|