Name: Paulomenol A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219600112
Cas No:94739-81-8
常用名:Paulomenol A
IUPAC:5-{6-[(acetyloxy)methyl]-3,5-dihydroxy-4-[(5-hydroxy-4-methoxy-6-methyl-5-{1-[(2-methylbutanoyl)oxy]ethyl}oxan-2-yl)oxy]oxan-2-yl}-2-amino-5-hydroxy-3,6-dioxocyclohex-1-ene-1-carboxylic acid
IUPAC:5-{6-[(acetyloxy)methyl]-3,5-dihydroxy-4-[(5-hydroxy-4-methoxy-6-methyl-5-{1-[(2-methylbutanoyl)oxy]ethyl}oxan-2-yl)oxy]oxan-2-yl}-2-amino-5-hydroxy-3,6-dioxocyclohex-1-ene-1-carboxylic acid
InChI key:RVRAOUPNLRDSKL-UHFFFAOYSA-N

分子式:C29H43NO16
分子量:661.654
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC(C)C(=O)OC(C)C1(O)C(C)OC(CC1OC)OC1C(O)C(COC(C)=O)OC(C1O)C1(O)CC(=O)C(N)=C(C(O)=O)C1=O
SMILES:CCC(C)C(=O)OC(C)C1(O)C(C)OC(CC1OC)OC1C(O)C(COC(C)=O)OC(C1O)C1(O)CC(=O)C(N)=C(C(O)=O)C1=O

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