Malbrancheogenin; 2-O-β-D-Mannopyranoside, 23-O-(2-acetamido-2-deoxy-6-O-methyl-α-D-glucopyranoside)
AlkaPlorer ID: AK305054
Synonym: Malbrancheoside D
IUPAC Name: N-[4,5-dihydroxy-2-[2-[6-[5-hydroxy-6a,9b-dimethyl-3-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-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]-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(CO)C(O)C(O)C6O)CCC45C)CCC3O2)C(N=C(C)O)C(O)C1O
InChI: InChI=1S/C45H75NO15/c1-22(48)46-32-35(52)34(51)27(21-55-9)57-39(32)60-41(2,3)29-14-16-43(6)18-23(10-13-31(43)58-29)24-11-12-28-44(7)17-15-30(59-38(44)25(49)19-45(24,28)8)42(4,5)61-40-37(54)36(53)33(50)26(20-47)56-40/h18,24-40,47,49-54H,10-17,19-21H2,1-9H3,(H,46,48)
InChIKey: VIDAGDZNMBISJJ-UHFFFAOYSA-N
Reference
Structures of New Triterpene Glycosides, Malbrancheosides A - D, from Malbranchea filamentosa
PubChem CID: 74347534
LOTUS: LTS0275571
COCONUT: CNP0402759.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Malbranchea filamentosa | Malbranchea | Malbrancheaceae | Onygenales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 870.0870000000003
TPSA？: 238.81
MolLogP？: 2.4399000000000046
Number of H-Donors: 8
Number of H-Acceptors: 15
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|