FRAGMENTA ISO020_Chemical Cloud Database

FRAGMENTA ISO020

Basic Information
Product Name：	FRAGMENTA ISO020
English Synonyms：	FRAGMENTA ISO020
MDL Number.：	MFCD23380683
H bond acceptor：	14
H bond donor：	0
Smile：	CC(CCCCOC(=O)CC[N@+]1(CCc2cc(c(cc2[C@H]1Cc3ccc(c(c3)OC)OC)OC)OC)C)OC(=O)CC[N@+]4(CCc5cc(c(cc5[C@H]4Cc6ccc(c(c6)OC)OC)OC)OC)C
InChi：	InChI=1S/C54H74N2O12/c1-36(68-54(58)22-26-56(3)24-20-40-33-50(64-9)52(66-11)35-42(40)44(56)29-38-16-18-46(60-5)48(31-38)62-7)14-12-13-27-67-53(57)21-25-55(2)23-19-39-32-49(63-8)51(65-10)34-41(39)43(55)28-37-15-17-45(59-4)47(30-37)61-6/h15-18,30-36,43-44H,12-14,19-29H2,1-11H3/q+2/t36?,43-,44-,55-,56-/m1/s1
InChiKey：	InChIKey=PAKVVHQJBKSXKI-MNBFTIRFSA-N

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