Heinsiagenin A; 3-O-[β-D-Glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside]
AlkaPlorer ID: AK300079
Synonym: Mussaendoside E
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(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CCC45CC35CCC12C)C(=O)NC1C(=O)OC(C)C1C
InChI: InChI=1S/C54H85NO19/c1-24(10-9-11-25(2)45(66)55-35-26(3)27(4)69-46(35)67)28-14-16-52(8)33-13-12-32-50(5,6)34(15-17-53(32)23-54(33,53)19-18-51(28,52)7)73-49-44(41(63)37(59)30(21-57)71-49)74-48-43(65)40(62)38(60)31(72-48)22-68-47-42(64)39(61)36(58)29(20-56)70-47/h9-11,24,26-44,47-49,56-65H,12-23H2,1-8H3,(H,55,66)/b10-9+,25-11+
InChIKey: VLZYXXLBRPBYJA-GSNDKAMVSA-N
Reference
CAS: 178402-87-4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mussaenda pubescens | Mussaenda | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1052.262
TPSA？: 313.0799999999999
MolLogP？: 0.4638000000000091
Number of H-Donors: 11
Number of H-Acceptors: 19
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|