Name: Polyphyllin E
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214314528
Cas No:76296-73-6
常用名:Polyphyllin E
别名:重楼皂苷 E
IUPAC:2-{[3-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5-hydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-eneoxy}oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol
IUPAC:2-{[3-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5-hydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-eneoxy}oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol
InChI key:SPDRGXNPOLRBGD-UHFFFAOYSA-N

分子式:C51H82O20
分子量:1015.197
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)OC11CCC(C)CO1 |t:8|
SMILES:CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)OC11CCC(C)CO1 |t:8|

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