Demethylalangiside
AlkaPlorer ID: AK043479
Synonym: '', 'Demethylalangiside', 'Demethylisoalangiside'
IUPAC Name: (1R,15S,16R,17S)-16-ethenyl-4,5-dihydroxy-15-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-11-one
Structure
SMILES: C=C[C@H]1[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C2C(=O)N3CCC4=CC(O)=C(O)C=C4[C@H]3C[C@H]21
InChI: InChI=1S/C24H29NO10/c1-2-11-13-6-15-12-7-17(28)16(27)5-10(12)3-4-25(15)22(32)14(13)9-33-23(11)35-24-21(31)20(30)19(29)18(8-26)34-24/h2,5,7,9,11,13,15,18-21,23-24,26-31H,1,3-4,6,8H2/t11-,13+,15-,18+,19+,20-,21+,23+,24-/m1/s1
InChIKey: ODZVWJRTEQQVCO-YVOSWJMZSA-N
Source
Properties Information
Molecule Weight: 491.49300000000034
TPSA？: 169.38
MolLogP？: -0.5976000000000001
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 5
Activities Information
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