17,18,19,32-tetrahydroxy-16-(hydroxymethyl)-30-{[3-(hydroxymethyl)phenyl]methyl}-21,35-dioxa-3,4-dithia-6,8-diazaheptacyclo[20.10.2.1?,¹¹.1¹?,²?.0¹,²?.0¹³,¹?.0²?,³?]hexatriaconta-7(36),8,10,22(34),23,25,29,31-octaene-27,33-dione
AlkaPlorer ID: AK241523
Synonym: None
IUPAC Name: (1R,13R,16R,17S,18S,19R,20R,28S)-17,18,19,32-tetrahydroxy-16-(hydroxymethyl)-30-[[3-(hydroxymethyl)phenyl]methyl]-21,35-dioxa-3,4-dithia-6,8-diazaheptacyclo[20.10.2.17,11.116,20.01,28.013,18.026,34]hexatriaconta-7,9,11(36),22,24,26(34),29,31-octaene-27,33-dione
Structure
SMILES: O=C1C2=CC=CC3=C2C(=O)[C@]2(CSSCNC4=CC(=CC=N4)C[C@H]4CC[C@]5(CO)O[C@@H](O3)[C@H](O)[C@@]4(O)[C@@H]5O)C(O)=CC(CC3=CC(CO)=CC=C3)=C[C@H]12
InChI: InChI=1S/C39H40N2O10S2/c42-17-23-4-1-3-21(11-23)12-24-14-27-32(45)26-5-2-6-28-31(26)33(46)38(27,29(44)15-24)19-52-53-20-41-30-16-22(8-10-40-30)13-25-7-9-37(18-43)36(48)39(25,49)34(47)35(50-28)51-37/h1-6,8,10-11,14-16,25,27,34-36,42-44,47-49H,7,9,12-13,17-20H2,(H,40,41)/t25-,27-,34+,35-,36-,37-,38+,39-/m1/s1
InChIKey: FQKXQGLOMZSGQT-ONDZLILGSA-N
Source
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Properties Information
Molecule Weight: 760.8870000000003
TPSA？: 198.9
MolLogP？: 3.516300000000003
Number of H-Donors: 7
Number of H-Acceptors: 14
RingCount: 8
Activities Information
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