14-25
AlkaPlorer ID: AK010122
Synonym: '', 'Microviridin D'
IUPAC Name: (2S)-2-[[[(1S,4S,7S,10S,19S,22S,28S,31S,37R,38S,41S)-38-[[(2S)-1,4-dihydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-(1-hydroxyethylideneamino)-3-(4-hydroxyphenyl)propylidene]amino]ethylidene]amino]-4-iminobutylidene]amino]-2,5,8,13,20,29,32,39,42-nonahydroxy-31-(hydroxymethyl)-22-[(4-hydroxyphenyl)methyl]-4-(1H-indol-3-ylmethyl)-7-(3-methoxy-3-oxopropyl)-37-methyl-41-(2-methylsulfanylethyl)-23,35-dioxo-36-oxa-3,6,9,14,21,24,30,33,40,43-decazatricyclo[17.14.10.024,28]tritetraconta-2,5,8,13,20,29,32,39,42-nonaen-10-yl]-hydroxymethylidene]amino]-3-(4-hydroxyphenyl)propanoic acid
Structure
SMILES: COC(=O)CC[C@@H]1N=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)[C@@H]2CC(=O)O[C@H](C)[C@H](N=C(O)[C@H](CC(=N)O)N=C(O)CN=C(O)[C@H](CC3=CC=C(O)C=C3)N=C(C)O)C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CCCCN=C(O)CC[C@@H](C(O)=N[C@@H](CC3=CC=C(O)C=C3)C(=O)O)N=C1O)C(O)=N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CO)C(O)=N2
InChI: InChI=1S/C84H107N17O26S/c1-43-71(100-79(119)60(38-66(85)107)90-68(109)41-88-72(112)58(89-44(2)103)34-45-14-20-49(104)21-15-45)82(122)94-57(30-33-128-4)76(116)91-54-12-7-8-31-86-67(108)28-26-55(75(115)98-63(84(124)125)36-47-18-24-51(106)25-19-47)92-74(114)56(27-29-69(110)126-3)93-77(117)59(37-48-40-87-53-11-6-5-10-52(48)53)95-78(118)61(39-70(111)127-43)96-80(120)64(42-102)99-81(121)65-13-9-32-101(65)83(123)62(97-73(54)113)35-46-16-22-50(105)23-17-46/h5-6,10-11,14-25,40,43,54-65,71,87,102,104-106H,7-9,12-13,26-39,41-42H2,1-4H3,(H2,85,107)(H,86,108)(H,88,112)(H,89,103)(H,90,109)(H,91,116)(H,92,114)(H,93,117)(H,94,122)(H,95,118)(H,96,120)(H,97,113)(H,98,115)(H,99,121)(H,100,119)(H,124,125)/t43-,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,71+/m1/s1
InChIKey: YEJXJFKDCRKSRQ-LBHOYRLISA-N
Source
Properties Information
Molecule Weight: 1802.9400000000007
TPSA？: 707.2600000000003
MolLogP？: 8.388470000000021
Number of H-Donors: 22
Number of H-Acceptors: 26
RingCount: 8
Activities Information
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