24-31

AlkaPlorer ID: AK010189

Synonym: '', 'Microviridin F'

IUPAC Name: None

Structure

SMILES: COC(=O)CC[C@@H]1N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CO)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H](N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H](N=C(O)[C@H](CO)N=C(O)[C@H](CC2=CC=CC=C2)N=C(C)O)[C@@H](C)O)CCCCN=C(O)C[C@@H](C(O)=N[C@@H](CC2=CC=CC=C2)C(=O)O)N=C1O

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InChI: InChI=1S/C82H102N14O25/c1-45(99)69(95-78(115)64(44-98)93-72(109)56(84-46(2)100)36-47-16-7-4-8-17-47)80(117)90-58(38-50-24-28-52(101)29-25-50)74(111)85-54-22-13-14-34-83-66(103)41-59(75(112)92-62(82(119)120)40-49-20-11-6-12-21-49)88-71(108)55(32-33-68(106)121-3)86-73(110)57(37-48-18-9-5-10-19-48)87-76(113)60(42-67(104)105)89-77(114)63(43-97)94-79(116)65-23-15-35-96(65)81(118)61(91-70(54)107)39-51-26-30-53(102)31-27-51/h4-12,16-21,24-31,45,54-65,69,97-99,101-102H,13-15,22-23,32-44H2,1-3H3,(H,83,103)(H,84,100)(H,85,111)(H,86,110)(H,87,113)(H,88,108)(H,89,114)(H,90,117)(H,91,107)(H,92,112)(H,93,109)(H,94,116)(H,95,115)(H,104,105)(H,119,120)/t45-,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,69+/m1/s1

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InChIKey: BFGWTGFCCHCPDG-FBBTTXGWSA-N

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Reference

PubChem CID: 155801649

SuperNatural Ⅲ: SN0023938-02

NPASS: NPC197228

Properties Information

Molecule Weight: 1683.7910000000006

TPSA: 646.0300000000003

MolLogP: 6.931600000000021

Number of H-Donors: 20

Number of H-Acceptors: 23

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information