Chloroeremomycin（CAS号：118395-73-6）

氯东方菌素A

基本信息

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CAS号

118395-73-6

分子式

C73H88Cl2N10O26

分子量

1592.4 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品醚类

基础化工原料有机化学品胺类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

农用化学品农药除草剂

实验室化学品科研化学品生化试剂

基本物理性质

SMILES

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CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C7C(=O)NC(C8=C(C(=CC(=C8)O)O)C9=C(C=CC(=C9)C(C(=O)N7)NC(=O)C5NC(=O)C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC(=O)C(CC(C)C)NC)CC(=O)N)O)C(=O)O)OC1CC(C(C(O1)C)O)(C)N)Cl)CO)O)O)(C)N)O

InChI

InChI=1S/C73H88Cl2N10O26/c1-26(2)14-38(79-7)64(96)84-54-56(91)30-9-12-42(36(74)16-30)106-44-18-32-19-45(60(44)111-71-61(58(93)57(92)46(25-86)108-71)110-49-24-73(6,78)63(95)28(4)105-49)107-43-13-10-31(17-37(43)75)59(109-48-23-72(5,77)62(94)27(3)104-48)55-69(101)83-53(70(102)103)35-20-33(87)21-41(89)50(35)34-15-29(8-11-40(34)88)51(66(98)85-55)82-67(99)52(32)81-65(97)39(22-47(76)90)80-68(54)100/h8-13,15-21,26-28,38-39,46,48-49,51-59,61-63,71,79,86-89,91-95H,14,22-25,77-78H2,1-7H3,(H2,76,90)(H,80,100)(H,81,97)(H,82,99)(H,83,101)(H,84,96)(H,85,98)(H,102,103)/t27-,28-,38+,39-,46+,48-,49-,51+,52+,53-,54+,55-,56+,57+,58-,59+,61+,62-,63-,71-,72-,73-/m0/s1

InChIKey

XJHXLMVKYIVZTE-LOALFDMRSA-N

LogP

0.3437000000000077

拓扑极性表面积

574.97 Å²

氢键供体/受体

23 / 36

复杂度

3300

同义词与引用数据

英文

CHEMBL1688951
SCHEMBL9947123
CS-0020679
Chloroorienticin A
A-82846B
C12014
Chloroeremomycin
LY-264826
X47SLZ2K7D
(4''R)-22-O-(3-AMINO-2,3,6-TRIDEOXY-3-C-METHYL-.ALPHA.-L-ARABINO-HEXOPYRANOSYL)VANCOMYCIN
CHEBI:29556
118395-73-6
PA-45052A
VANCOMYCIN, 22-O-(3-AMINO-2,3,6-TRIDEOXY-3-C-METHYL-.ALPHA.-L-ARABINO-HEXOPYRANOSYL)-, (4''R)-
HY-100997
Vancomycin,22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-arabino-hexopyranosyl)-, (4''R)-
(1S,2R,18R,19R,22S,25R,28R,40R)-2-{[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-48-{[(2S,3R,5S,6R)-3-{[(2S,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-22-(2-amino-2-oxoe
8-82846A
A 82846B
A83846B
LY 264826
Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-, (4''R)-
(4''R)-22-O-(3-Amino-3-C-methyl-2,3,6-trideoxy-α-L-arabino-hexopyranosyl)vancomycin
(4''R)-22-O-(3-Amino-2,3,6-trideoxy-3-C-methyl-α-L-arabino-hexopyranosyl)vancomycin