Heinsiagenin A; 3-O-[β-D-Glucopyranosyl-(1→2)-β-D-glucopyranosyl-(1→2)-[α-L-rhamnopyranosyl-(1→4)]-β-D-glucopyranoside]
AlkaPlorer ID: AK300080
Synonym: Mussaendoside F
IUPAC Name: None
Structure
SMILES: C/C(=C\C=C\C(C)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12C)C(=O)NC1C(=O)OC(C)C1C
InChI: InChI=1S/C60H95NO23/c1-25(11-10-12-26(2)50(74)61-37-27(3)28(4)76-51(37)75)30-15-17-58(9)35-14-13-34-56(6,7)36(16-18-59(34)24-60(35,59)20-19-57(30,58)8)81-54-49(46(73)47(33(23-64)80-54)82-52-44(71)41(68)38(65)29(5)77-52)84-55-48(43(70)40(67)32(22-63)79-55)83-53-45(72)42(69)39(66)31(21-62)78-53/h10-12,25,27-49,52-55,62-73H,13-24H2,1-9H3,(H,61,74)/b11-10+,26-12+
InChIKey: RSXUACHNOMZKAE-SYOHJNBHSA-N
Reference
CAS: 176108-51-3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mussaenda pubescens | Mussaenda | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1198.404
TPSA？: 372.0
MolLogP？: -0.6843999999999861
Number of H-Donors: 13
Number of H-Acceptors: 23
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|