Name: FR-008I
Rating: 5 (10 reviews)

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sdf 文件

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类似物检索

HIT ID:HIT214318115
Cas No:58591-23-4
常用名:FR-008I
别名:FR 008I
IUPAC:(1R,3S,5S,7R,13R,17R,18S,19E,21E,23E,25E,27Z,29E,31E,33R,35S,36R,37S)-33-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-17-[(2S,4S,5S)-7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-1,3,5,7,13,37-hexahydroxy-18-methyl-9,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
IUPAC:(1R,3S,5S,7R,13R,17R,18S,19E,21E,23E,25E,27Z,29E,31E,33R,35S,36R,37S)-33-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-17-[(2S,4S,5S)-7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-1,3,5,7,13,37-hexahydroxy-18-methyl-9,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
InChI key:NIQQIRWZEBRLKO-CCYZIFECSA-N

分子式:C59H86N2O18
分子量:1111.333
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@]([H])(OC(=O)C[C@H](O)CCCC(=O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2)[C@@H](C)C[C@H](C)[C@@H](O)CC(=O)c1ccc(N)cc1 |c:20,t:16,18,22,24,26,28|
SMILES:[H][C@]12C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@]([H])(OC(=O)C[C@H](O)CCCC(=O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2)[C@@H](C)C[C@H](C)[C@@H](O)CC(=O)c1ccc(N)cc1 |c:20,t:16,18,22,24,26,28|

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