Liensinine

AlkaPlorer ID: AK026584

Synonym: ''

IUPAC Name: None

Structure

SMILES: COC1=C(OC)C=C2C(=C1)CC[NH+](C)[C@@H]2CC1=CC=C(O)C(OC2=C(OC)C=C3CC[NH+](C)[C@H](CC4=CC=C(O)C=C4)C3=C2)=C1

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InChI: InChI=1S/C37H42N2O6/c1-38-14-13-26-20-35(43-4)37(22-29(26)30(38)16-23-6-9-27(40)10-7-23)45-33-18-24(8-11-32(33)41)17-31-28-21-36(44-5)34(42-3)19-25(28)12-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/p+2/t30-,31-/m1/s1

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InChIKey: XCUCMLUTCAKSOZ-FIRIVFDPSA-P

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Properties Information

Molecule Weight: 612.7670000000004

TPSA: 86.26

MolLogP: 3.6251000000000015

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information