Neogermbudine
AlkaPlorer ID: AK005653
Synonym: None
IUPAC Name: [(1S,2S,6S,9S,10S,11R,12R,13S,15S,16R,19S,22S,23S)-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-13-[(2R)-2-methylbutanoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2S,3R)-2,3-dihydroxy-2-methylbutanoate
Structure
SMILES: CC[C@@H](C)C(=O)O[C@H]1[C@@H]([C@H]2[C@@H](CN3C[C@H](CC[C@H]3[C@@]2(C)O)C)[C@H]4C1([C@@H]5[C@@H](CC6[C@]7(C5(C4)O[C@@]6([C@H](CC7)OC(=O)[C@](C)([C@@H](C)O)O)O)C)O)O)O
InChI: InChI=1S/C37H59NO12/c1-8-18(3)30(42)49-29-27(41)26-20(16-38-15-17(2)9-10-24(38)34(26,7)45)21-14-35-28(36(21,29)46)22(40)13-23-32(35,5)12-11-25(37(23,47)50-35)48-31(43)33(6,44)19(4)39/h17-29,39-41,44-47H,8-16H2,1-7H3/t17-,18+,19+,20-,21-,22+,23?,24-,25-,26+,27+,28+,29-,32-,33-,34+,35?,36?,37-/m0/s1
InChIKey: LWSPRPDSPCBAKK-KFQWNRGESA-N
Source
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Properties Information
Molecule Weight: 709.8740000000006
TPSA？: 206.67999999999998
MolLogP？: 0.4656000000000034
Number of H-Donors: 7
Number of H-Acceptors: 13
RingCount: 7
Activities Information
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