Name: Pradimicin T2
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219599943
Cas No:149598-63-0
常用名:Pradimicin T2
IUPAC:2-{[(10S,11S)-2,5,11,17-tetrahydroxy-7-methyl-15,22-dioxo-10-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-19-{[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}pentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1(14),2,4(9),5,7,12,16(21),17,19-nonaen-6-yl]formamido}acetic acid
IUPAC:2-{[(10S,11S)-2,5,11,17-tetrahydroxy-7-methyl-15,22-dioxo-10-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-19-{[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}pentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1(14),2,4(9),5,7,12,16(21),17,19-nonaen-6-yl]formamido}acetic acid
InChI key:YNXJAOKAYJEVKX-PGENVNSISA-N

分子式:C37H37NO19
分子量:799.691
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)c3cc4C(=O)c5c(O)cc(O[C@H]6OC[C@H](O)[C@@H](O)[C@@H]6O)cc5C(=O)c4c(O)c3-c3c(O)c(C(=O)NCC(O)=O)c(C)cc23)[C@H](O)[C@@H](O)[C@H]1O
SMILES:C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)c3cc4C(=O)c5c(O)cc(O[C@H]6OC[C@H](O)[C@@H](O)[C@@H]6O)cc5C(=O)c4c(O)c3-c3c(O)c(C(=O)NCC(O)=O)c(C)cc23)[C@H](O)[C@@H](O)[C@H]1O

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