Name: Cyclocarioside D
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212524483
Cas No:1403937-41-6
常用名:Cyclocarioside D
IUPAC:3-{3-[(4E)-2-hydroxy-6-methoxy-6-methylhept-4-en-2-yl]-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-dodecahydro-1H-cyclopenta[a]naphthalen-6-yl}propanoic acid
IUPAC:3-{3-[(4E)-2-hydroxy-6-methoxy-6-methylhept-4-en-2-yl]-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-dodecahydro-1H-cyclopenta[a]naphthalen-6-yl}propanoic acid
InChI key:RZROURYDMDQMGW-RVDMUPIBSA-N

分子式:C37H62O9
分子量:650.894
氢键供体数 (HBD):5
氢键受体数 (HBA):9
LogP:4.351
SMILES:COC(C)(C)\C=C\CC(C)(O)C1CCC2(C)C1C(CC1C(C)(CCC(O)=O)C(CCC21C)C(C)=C)OC1OC(C)C(O)C(O)C1O
SMILES:COC(C)(C)\C=C\CC(C)(O)C1CCC2(C)C1C(CC1C(C)(CCC(O)=O)C(CCC21C)C(C)=C)OC1OC(C)C(O)C(O)C1O

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