3,4,5-trihydroxy-6-({16-hydroxy-4,15-dimethoxy-10-azatetracyclo[7.7.1.0²,?.0¹³,¹?]heptadeca-1(16),2(7),3,5,13(17),14-hexaen-5-yl}oxy)oxane-2-carboxylic acid
AlkaPlorer ID: AK027935
Synonym: None
IUPAC Name: (2R,3S,4R,5R,6S)-6-[[(6aS)-1-hydroxy-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Structure
SMILES: COC1=C(O[C@@H]2O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]2O)C=C2C[C@@H]3NCCC4=CC(OC)=C(O)C(=C43)C2=C1
InChI: InChI=1S/C24H27NO10/c1-32-13-8-11-10(5-12-16-9(3-4-25-12)6-15(33-2)18(26)17(11)16)7-14(13)34-24-21(29)19(27)20(28)22(35-24)23(30)31/h6-8,12,19-22,24-29H,3-5H2,1-2H3,(H,30,31)/t12-,19+,20-,21+,22+,24+/m0/s1
InChIKey: PHJWMWWKWBKFQU-ZSBSPWPOSA-N
Source
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Properties Information
Molecule Weight: 489.4770000000004
TPSA？: 167.17
MolLogP？: 0.0903000000000001
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 5
Activities Information
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