(2R,3S,4S)-4-[(2-aminoethyl)sulfanyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
AlkaPlorer ID: AK088935
Synonym: None
IUPAC Name: [(2R,3S,4S)-4-(2-aminoethylsulfanyl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Structure
SMILES: NCCS[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1
InChI: InChI=1S/C24H23NO10S/c25-3-4-36-23-19-15(29)8-12(26)9-18(19)34-21(10-1-2-13(27)14(28)5-10)22(23)35-24(33)11-6-16(30)20(32)17(31)7-11/h1-2,5-9,21-23,26-32H,3-4,25H2/t21-,22+,23+/m1/s1
InChIKey: BUOJWHRWJNBBQB-VJBWXMMDSA-N
Source
Properties Information
Molecule Weight: 517.5120000000003
TPSA？: 203.16
MolLogP？: 2.718100000000001
Number of H-Donors: 8
Number of H-Acceptors: 12
RingCount: 4
Activities Information
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