3-ethyl-4-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,5-dihydro-1H-pyrrole-2,5-dione
AlkaPlorer ID: AK321896
Synonym: None
IUPAC Name: 3-ethyl-4-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrrole-2,5-dione
Structure
SMILES: CCC1=C(C)C(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O
InChI: InChI=1S/C13H19NO7/c1-3-6-5(2)11(19)14(12(6)20)13-10(18)9(17)8(16)7(4-15)21-13/h7-10,13,15-18H,3-4H2,1-2H3/t7-,8-,9+,10-,13-/m1/s1
InChIKey: IPUNBNMYMPOIEC-OAZVDXGHSA-N
Reference
Bumaldosides A, B and C from the Leaves of Staphylea bumalda
PubChem CID: 100933901
LOTUS: LTS0252312
NPASS: NPC38739
Source
Properties Information
Molecule Weight: 301.295
TPSA?: 127.53
MolLogP?: -2.1183999999999994
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 2
Activities Information
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