Malbrancheogenin; 2,23-Di-O-(2-acetamido-2-deoxy-6-O-methyl-β-D-glucopyranoside)
AlkaPlorer ID: AK065118
Synonym: Malbrancheoside A
IUPAC Name: N-[2-[2-[6-[3-[2-[3-acetamido-4,5-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxypropan-2-yl]-5-hydroxy-6a,9b-dimethyl-1,2,3,4a,5,6,7,8,9,9a-decahydrocyclopenta[f]chromen-7-yl]-4a-methyl-2,3,4,7,8,8a-hexahydrochromen-2-yl]propan-2-yloxy]-4,5-dihydroxy-6-(methoxymethyl)oxan-3-yl]acetamide
Structure
SMILES: COCC1OC(OC(C)(C)C2CCC3(C)C=C(C4CCC5C4(C)CC(O)C4OC(C(C)(C)OC6OC(COC)C(O)C(O)C6N=C(C)O)CCC45C)CCC3O2)C(N=C(C)O)C(O)C1O
InChI: InChI=1S/C48H80N2O15/c1-24(51)49-35-39(56)37(54)29(22-58-10)60-42(35)64-44(3,4)32-16-18-46(7)20-26(12-15-34(46)62-32)27-13-14-31-47(8)19-17-33(63-41(47)28(53)21-48(27,31)9)45(5,6)65-43-36(50-25(2)52)40(57)38(55)30(61-43)23-59-11/h20,27-43,53-57H,12-19,21-23H2,1-11H3,(H,49,51)(H,50,52)
InChIKey: LFQPVWALRWUAGY-UHFFFAOYSA-N
Reference
Structures of New Triterpene Glycosides, Malbrancheosides A - D, from Malbranchea filamentosa
PubChem CID: 74347497
LOTUS: LTS0191437
COCONUT: CNP0159883
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Malbranchea filamentosa | Malbranchea | Malbrancheaceae | Onygenales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 925.167
TPSA？: 240.17
MolLogP？: 4.078100000000009
Number of H-Donors: 7
Number of H-Acceptors: 15
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|