Uhdoside A
HIT106651103
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HIT ID: HIT106651103
Cas No: 150044-49-8
分子式: C32H36O13
分子量: 628.627
常用名: Uhdoside A
氢键受体数 (HBA): 10
氢键供体数 (HBD): 5
LogP: 1.955
IUPAC: (15S,16Z,17S)-16-ethylidene-4-hydroxy-15-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,10,14,20-tetraoxatetracyclo[21.2.2.1^{3,7}.0^{12,17}]octacosa-1(25),3,5,7(28),12,23,26-heptaene-11,19-dione
IUPAC: (15S,16Z,17S)-16-ethylidene-4-hydroxy-15-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,10,14,20-tetraoxatetracyclo[21.2.2.1^{3,7}.0^{12,17}]octacosa-1(25),3,5,7(28),12,23,26-heptaene-11,19-dione
SMILES: C\C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2[C@H]1CC(=O)OCCc1ccc(Oc3cc(CCOC2=O)ccc3O)cc1 |c:18|
SMILES: C\C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2[C@H]1CC(=O)OCCc1ccc(Oc3cc(CCOC2=O)ccc3O)cc1 |c:18|
InChI key: YRQNFHSTTZXQBU-HTVHDVGDSA-N
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