8,16,20-trihydroxy-10-(hydroxymethyl)-26-imino-6-oxa-30,31-dithia-2,25,27,34-tetraazaspiro[heptacyclo[17.16.6.2³²,³?.1¹,?.1?,¹¹.0¹³,³?.0¹?,²?]pentatetracontane-28,10'-tricyclo[6.3.1.0¹,?]dodecane]-6',7,9,11(44),22-pentaen-40-yn-14-yl acetate
AlkaPlorer ID: AK335728
Synonym: None
IUPAC Name: [26-amino-8,16,20-trihydroxy-10-(hydroxymethyl)spiro[6-oxa-30,31-dithia-2,25,27,34-tetrazaheptacyclo[17.16.6.232,35.11,5.17,11.013,39.019,24]pentatetraconta-7,9,11(44),22,25-pentaen-40-yne-28,10'-tricyclo[6.3.1.01,5]dodec-6-ene]-14-yl] acetate
Structure
SMILES: CC(=O)OC1CC(O)CCC23C#CC4CCCC5(CC(CCN5)OC5=CC(=C(CO)C=C5O)CC41)C1CCC(CN1)SSCC1(CC4C=CC5CCCC5(C4)C1)NC(=N)NC2C=CCC3O
InChI: InChI=1S/C52H73N5O7S2/c1-32(59)63-43-24-38(60)14-19-51-18-13-34-5-3-17-52(27-39(15-20-55-52)64-44-23-35(21-41(34)43)36(29-58)22-42(44)61)46-12-11-40(28-54-46)66-65-31-50(57-48(53)56-45(51)7-2-8-47(51)62)26-33-9-10-37-6-4-16-49(37,25-33)30-50/h2,7,9-10,22-23,33-34,37-41,43,45-47,54-55,58,60-62H,3-6,8,11-12,14-17,19-21,24-31H2,1H3,(H3,53,56,57)
InChIKey: ARGPYYIXSGLQRL-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 944.3179999999996
TPSA？: 188.42
MolLogP？: 6.393370000000006
Number of H-Donors: 9
Number of H-Acceptors: 12
RingCount: 11
Activities Information
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