Name: Montbretin A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218909617
Cas No:115712-92-0
常用名:Montbretin A
IUPAC:(6-{[2-({2-[4-({3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,5-dihydroxyphenyl]-5,7-dihydroxy-4-oxo-4H-chromen-3-yl}oxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
IUPAC:(6-{[2-({2-[4-({3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,5-dihydroxyphenyl]-5,7-dihydroxy-4-oxo-4H-chromen-3-yl}oxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI key:FHVDXUPJFGRQLV-UHFFFAOYSA-N

分子式:C53H64O33
分子量:1229.062
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC1OC(OC2COC(Oc3c(O)cc(cc3O)-c3oc4cc(O)cc(O)c4c(=O)c3OC3OC(C)C(O)C(O)C3OC3OC(COC(=O)C=Cc4ccc(O)c(O)c4)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
SMILES:CC1OC(OC2COC(Oc3c(O)cc(cc3O)-c3oc4cc(O)cc(O)c4c(=O)c3OC3OC(C)C(O)C(O)C3OC3OC(COC(=O)C=Cc4ccc(O)c(O)c4)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

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