Name: RA-XII
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT106696561
Cas No:143343-98-0
常用名:RA-XII
IUPAC:10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-24-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2^{18,21}.1^{23,27}]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
IUPAC:10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-24-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2^{18,21}.1^{23,27}]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
InChI key:UYXWCWJRGWWTGU-UHFFFAOYSA-N

分子式:C46H58N6O14
分子量:918.998
氢键供体数 (HBD):7
氢键受体数 (HBA):13
LogP:-0.78
SMILES:COc1ccc(CC2N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C3Cc4ccc(OC5OC(CO)C(O)C(O)C5O)c(Oc5ccc(CC(N(C)C(=O)C(C)NC2=O)C(=O)N3C)cc5)c4)cc1
SMILES:COc1ccc(CC2N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C3Cc4ccc(OC5OC(CO)C(O)C(O)C5O)c(Oc5ccc(CC(N(C)C(=O)C(C)NC2=O)C(=O)N3C)cc5)c4)cc1

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