Name: Compound N006-0007
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT211512848
Cas No:
常用名:Compound N006-0007
IUPAC:2-{[4-hydroxy-6-(hydroxymethyl)-2-[(2R,7'S,18'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane]oxy]-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
IUPAC:2-{[4-hydroxy-6-(hydroxymethyl)-2-[(2R,7'S,18'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane]oxy]-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
InChI key:KFYOFJUUTSALEH-WEFCCHQPSA-N

分子式:C45H74O16
分子量:871.071
氢键供体数 (HBD):8
氢键受体数 (HBA):16
LogP:3.214
SMILES:[H][C@@]12CCC3C4CC5O[C@]6(CCC(C)CO6)[C@@H](C)C5C4(C)CCC3C1(C)CCC(C2)OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(O)C1O
SMILES:[H][C@@]12CCC3C4CC5O[C@]6(CCC(C)CO6)[C@@H](C)C5C4(C)CCC3C1(C)CCC(C2)OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(O)C1O

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