Name: Chivosazol A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219599841
Cas No:169181-40-2
常用名:Chivosazol A
IUPAC:(2R,3R,5R,6Z,8Z,10Z,12S,16E,18Z,20Z,22E,24R,25S,26Z,28Z)-13-[(2S,3S,5R)-3,5-dihydroxyhexan-2-yl]-5-hydroxy-25-{[(2S,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}-3-methoxy-2,12,22,24-tetramethyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one
IUPAC:(2R,3R,5R,6Z,8Z,10Z,12S,16E,18Z,20Z,22E,24R,25S,26Z,28Z)-13-[(2S,3S,5R)-3,5-dihydroxyhexan-2-yl]-5-hydroxy-25-{[(2S,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}-3-methoxy-2,12,22,24-tetramethyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one
InChI key:OVMUGRSUGHRYEC-RXSZZYPXSA-N

分子式:C49H71NO12
分子量:866.102
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CO[C@H]1[C@@H](O[C@H]2\C=C/C=C\c3coc(n3)[C@H](C)[C@@H](C[C@@H](O)\C=C/C=C\C=C/[C@H](C)C(OC(=O)\C=C\C=C/C=C\C(\C)=C\[C@H]2C)[C@@H](C)[C@@H](O)C[C@@H](C)O)OC)O[C@H](C)[C@@H](O)[C@@H]1OC
SMILES:CO[C@H]1[C@@H](O[C@H]2\C=C/C=C\c3coc(n3)[C@H](C)[C@@H](C[C@@H](O)\C=C/C=C\C=C/[C@H](C)C(OC(=O)\C=C\C=C/C=C\C(\C)=C\[C@H]2C)[C@@H](C)[C@@H](O)C[C@@H](C)O)OC)O[C@H](C)[C@@H](O)[C@@H]1OC

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