Name: Avenacin A 1
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214319069
Cas No:90547-90-3
常用名:Avenacin A 1
IUPAC:3-formyl-14-hydroxy-9-{[4-hydroxy-3,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-10-(hydroxymethyl)-3,6b,10,12a,12b,14a-hexamethyl-icosahydro-1H-piceno[13,12b-b]oxiren-2-yl 2-(methylamino)benzoate
IUPAC:3-formyl-14-hydroxy-9-{[4-hydroxy-3,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-10-(hydroxymethyl)-3,6b,10,12a,12b,14a-hexamethyl-icosahydro-1H-piceno[13,12b-b]oxiren-2-yl 2-(methylamino)benzoate
InChI key:SYXUBXTYGFJFEH-UHFFFAOYSA-N

分子式:C55H83NO21
分子量:1094.255
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CNc1ccccc1C(=O)OC1CC2(C)C(O)CC3(C)C4(OC4CC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2CC1(C)C=O
SMILES:CNc1ccccc1C(=O)OC1CC2(C)C(O)CC3(C)C4(OC4CC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2CC1(C)C=O

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