Name: Aplasmomycin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219251405
Cas No:61230-25-9
常用名:Aplasmomycin
IUPAC:sodium (1S,2S,20R)-12,32-dihydroxy-6,13,13,17,26,33,33,37-octamethyl-3,23-dioxo-21lambda3-ioda-4,7,19,24,27,38,39,41,42-nonaoxa-20-boraoctacyclo[18.17.1.1^{1,34}.1^{2,20}.1^{5,8}.1^{14,18}.1^{25,28}.0^{18,22}]tritetraconta-9,29-dien-20-uide
IUPAC:sodium (1S,2S,20R)-12,32-dihydroxy-6,13,13,17,26,33,33,37-octamethyl-3,23-dioxo-21lambda3-ioda-4,7,19,24,27,38,39,41,42-nonaoxa-20-boraoctacyclo[18.17.1.1^{1,34}.1^{2,20}.1^{5,8}.1^{14,18}.1^{25,28}.0^{18,22}]tritetraconta-9,29-dien-20-uide
InChI key:NWDSZUDQHMMURY-IMXNOFFFSA-N

分子式:C40H61BINaO13
分子量:910.62
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].CC1OC2CC1OC(=O)[C@H]1O[B@-]34O[C@@]11OC(CCC1C)C(C)(C)C(O)CC=CC1CC(OC(=O)C([IH]3)C3(O4)OC(CCC3C)C(C)(C)C(O)CC=C2)C(C)O1
SMILES:[Na+].CC1OC2CC1OC(=O)[C@H]1O[B@-]34O[C@@]11OC(CCC1C)C(C)(C)C(O)CC=CC1CC(OC(=O)C([IH]3)C3(O4)OC(CCC3C)C(C)(C)C(O)CC=C2)C(C)O1

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