Heinsiagenin A; 3-O-[β-D-Glucopyranosyl-(1→2)-β-D-glucopyranoside]
AlkaPlorer ID: AK300078
Synonym: Mussaendoside D
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)C5O)CCC45CC35CCC12C)C(=O)NC1C(=O)OC(C)C1C
InChI: InChI=1S/C48H75NO14/c1-23(10-9-11-24(2)40(57)49-33-25(3)26(4)59-41(33)58)27-14-16-46(8)31-13-12-30-44(5,6)32(15-17-47(30)22-48(31,47)19-18-45(27,46)7)62-43-39(37(55)35(53)29(21-51)61-43)63-42-38(56)36(54)34(52)28(20-50)60-42/h9-11,23,25-39,42-43,50-56H,12-22H2,1-8H3,(H,49,57)/b10-9+,24-11+
InChIKey: SMLUUCVJPGLTPV-FGGVIIMVSA-N
Reference
CAS: 178402-86-3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mussaenda pubescens | Mussaenda | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 890.1209999999999
TPSA？: 233.93
MolLogP？: 2.6396000000000024
Number of H-Donors: 8
Number of H-Acceptors: 14
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|