Neosartorin
HIT212522160
sdf文件结构编辑类似物检索
HIT ID: HIT212522160
Cas No:
分子式: C34H32O15
分子量: 680.615
常用名: Neosartorin
氢键受体数 (HBA): 12
氢键供体数 (HBD): 5
LogP: 2.84
IUPAC: 10a,10'a-dimethyl (5S,5'S,6'S,10aR,10'aR)-5'-(acetyloxy)-1,1',5,8,8'-pentahydroxy-3,6'-dimethyl-9,9'-dioxo-5H,5'H,6H,6'H,7H,7'H,9H,9'H,10aH,10'aH-[2,4'-bixanthene]-10a,10'a-dicarboxylate
IUPAC: 10a,10'a-dimethyl (5S,5'S,6'S,10aR,10'aR)-5'-(acetyloxy)-1,1',5,8,8'-pentahydroxy-3,6'-dimethyl-9,9'-dioxo-5H,5'H,6H,6'H,7H,7'H,9H,9'H,10aH,10'aH-[2,4'-bixanthene]-10a,10'a-dicarboxylate
SMILES: [H]C1(O)CCC(O)=C2C(=O)c3c(O)c(c(C)cc3O[C@@]12C(=O)OC)-c1ccc(O)c2C(=O)C3=C(O)C[C@H](C)[C@H](OC(C)=O)[C@@]3(Oc12)C(=O)OC |c:35,t:6|
SMILES: [H]C1(O)CCC(O)=C2C(=O)c3c(O)c(c(C)cc3O[C@@]12C(=O)OC)-c1ccc(O)c2C(=O)C3=C(O)C[C@H](C)[C@H](OC(C)=O)[C@@]3(Oc12)C(=O)OC |c:35,t:6|
InChI key: YUNGLUVSQVBKQB-MLRSTCIASA-N
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