Name: Tolypomycin R
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320265
Cas No:33889-22-4
常用名:Tolypomycin R
别名:B-2847-R
IUPAC:(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,20R,22Z)-2,15,17,30-tetrahydroxy-28-{[(2S,3R,6S)-6-hydroxy-2-methyloxan-3-yl]amino}-11-methoxy-3,7,12,14,16,23-hexamethyl-6,21,24-trioxo-8,31-dioxa-25-azapentacyclo[24.3.1.1^{4,7}.0^{5,29}.0^{18,20}]hentriaconta-1(30),2,4,9,22,26,28-heptaen-13-yl acetate
IUPAC:(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,20R,22Z)-2,15,17,30-tetrahydroxy-28-{[(2S,3R,6S)-6-hydroxy-2-methyloxan-3-yl]amino}-11-methoxy-3,7,12,14,16,23-hexamethyl-6,21,24-trioxo-8,31-dioxa-25-azapentacyclo[24.3.1.1^{4,7}.0^{5,29}.0^{18,20}]hentriaconta-1(30),2,4,9,22,26,28-heptaen-13-yl acetate
InChI key:RUJHPEIRGYGPOM-JUOJRUMHSA-N

分子式:C43H56N2O14
分子量:824.921
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@@]1([H])C(=O)\C=C(C)/C(=O)Nc1cc(N[C@@H]3CC[C@@H](O)O[C@H]3C)c3c4C(=O)[C@](C)(Oc4c(C)c(O)c3c1O)O\C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H]2O |c:46,t:8|
SMILES:[H][C@]12C[C@@]1([H])C(=O)\C=C(C)/C(=O)Nc1cc(N[C@@H]3CC[C@@H](O)O[C@H]3C)c3c4C(=O)[C@](C)(Oc4c(C)c(O)c3c1O)O\C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H]2O |c:46,t:8|

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