Name: Hyponine D
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320518
Cas No:259823-31-9
常用名:Hyponine D
IUPAC:(1S,3R,13S,14S,17S,18R,19R,20R,21S,22R,23R,24R,25S)-19,21,22-tris(acetyloxy)-20-[(acetyloxy)methyl]-24-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0^{1,20}.0^{3,23}.0^{7,12}]pentacosa-7(12),8,10-trien-18-yl pyridine-3-carboxylate
IUPAC:(1S,3R,13S,14S,17S,18R,19R,20R,21S,22R,23R,24R,25S)-19,21,22-tris(acetyloxy)-20-[(acetyloxy)methyl]-24-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0^{1,20}.0^{3,23}.0^{7,12}]pentacosa-7(12),8,10-trien-18-yl pyridine-3-carboxylate
InChI key:BDKQPFFHSCFTQW-XTHWTLMWSA-N

分子式:C47H50N2O18
分子量:930.913
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12[C@@H](OC(=O)c3ccccc3)[C@@]34O[C@@]1(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@]([H])([C@H](OC(=O)c1cccnc1)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O |TLB:15:14:2:50.61.56,16:14:2:50.61.56|
SMILES:[H][C@@]12[C@@H](OC(=O)c3ccccc3)[C@@]34O[C@@]1(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@]([H])([C@H](OC(=O)c1cccnc1)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O |TLB:15:14:2:50.61.56,16:14:2:50.61.56|

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