Name: Fce 22250
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212709782
Cas No:84475-07-0
常用名:Fce 22250
别名:Fce-22250, Fce22250
IUPAC:(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z,26Z)-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27-trioxo-26-{[(2E)-2-[(piperidin-1-yl)methylidene]hydrazin-1-yl]methylidene}-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl acetate
IUPAC:(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z,26Z)-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27-trioxo-26-{[(2E)-2-[(piperidin-1-yl)methylidene]hydrazin-1-yl]methylidene}-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl acetate
InChI key:SRGITGUCGGVOQM-DKUXPHFDSA-N

分子式:C44H58N4O12
分子量:834.964
氢键供体数 (HBD):6
氢键受体数 (HBA):14
LogP:1.8910348
SMILES:CO[C@H]1\C=C/O[C@@]2(C)Oc3c(C2=O)c2C(=O)\C(=C/N\N=C\N4CCCCC4)C(NC(=O)\C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C(O)c2c(O)c3C |c:3,34,36,t:55|
SMILES:CO[C@H]1\C=C/O[C@@]2(C)Oc3c(C2=O)c2C(=O)\C(=C/N\N=C\N4CCCCC4)C(NC(=O)\C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C(O)c2c(O)c3C |c:3,34,36,t:55|

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