Malbrancheogenin; 2-O-(2-Acetamido-2-deoxy-β-D-glucopyranoside), 23-O-(2-acetamido-2-deoxy-6-O-methyl-α-D-glucopyranoside)
AlkaPlorer ID: AK305053
Synonym: Malbrancheoside C
IUPAC Name: N-[2-[2-[7-[2-[2-[3-acetamido-4,5-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxypropan-2-yl]-4a-methyl-2,3,4,7,8,8a-hexahydrochromen-6-yl]-5-hydroxy-6a,9b-dimethyl-1,2,3,4a,5,6,7,8,9,9a-decahydrocyclopenta[f]chromen-3-yl]propan-2-yloxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Structure
SMILES: COCC1OC(OC(C)(C)C2CCC3(C)C=C(C4CCC5C4(C)CC(O)C4OC(C(C)(C)OC6OC(CO)C(O)C(O)C6N=C(C)O)CCC45C)CCC3O2)C(N=C(C)O)C(O)C1O
InChI: InChI=1S/C47H78N2O15/c1-23(51)48-34-38(56)36(54)28(21-50)59-41(34)63-44(5,6)32-16-18-46(8)30-13-12-26(47(30,9)20-27(53)40(46)62-32)25-11-14-33-45(7,19-25)17-15-31(61-33)43(3,4)64-42-35(49-24(2)52)39(57)37(55)29(60-42)22-58-10/h19,26-42,50,53-57H,11-18,20-22H2,1-10H3,(H,48,51)(H,49,52)
InChIKey: NLFUQHCGODFTIB-UHFFFAOYSA-N
Reference
Structures of New Triterpene Glycosides, Malbrancheosides A - D, from Malbranchea filamentosa
PubChem CID: 24150637
LOTUS: LTS0152569
COCONUT: CNP0159574.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Malbranchea filamentosa | Malbranchea | Malbrancheaceae | Onygenales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 911.1400000000002
TPSA？: 251.17
MolLogP？: 3.424000000000006
Number of H-Donors: 8
Number of H-Acceptors: 15
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|