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name Structure Reference Source Properties Activities Metabolism

N-[(1E,3R,4R,5R,9S,10S)-4,10-dimethoxy-3,5,9-trimethyl-6-oxo-11-[(10R,11S,12S,14S,16S,20S,21R,22S)-12,16,22-trihydroxy-10-methoxy-11,14,21-trimethyl-18-oxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1²,⁵.1⁶,⁹]hentriaconta-1(28),2(31),4,6(30),8,24

AlkaPlorer ID: AK075988

Synonym: None

IUPAC Name: N-[(E,3R,4R,5R,9S,10S)-4,10-dimethoxy-3,5,9-trimethyl-6-oxo-11-[(10R,11S,12S,14S,16S,20S,21R,22S,24E)-12,16,22-trihydroxy-10-methoxy-11,14,21-trimethyl-18-oxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-20-yl]undec-1-enyl]-N-methylformamide

Structure

SMILES: CO[C@H]([C@H](C)/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@H](C)[C@H](C[C@@H]1OC(=O)C[C@@H](O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)/C=C/C[C@H](O)[C@H]1C)OC

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InChI: InChI=1S/C46H68N4O13/c1-26-18-32(52)20-42(56)63-40(21-39(57-8)27(2)14-15-37(54)30(5)43(58-9)28(3)16-17-50(7)25-51)29(4)36(53)12-11-13-41-47-34(23-60-41)45-49-35(24-62-45)46-48-33(22-61-46)44(59-10)31(6)38(55)19-26/h11,13,16-17,22-32,36,38-40,43-44,52-53,55H,12,14-15,18-21H2,1-10H3/b13-11+,17-16+/t26-,27-,28+,29+,30-,31-,32-,36-,38-,39-,40-,43+,44+/m0/s1

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InChIKey: QNNVYLWPDFRFNO-QSPXEARGSA-N

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Properties Information

Molecule Weight: 885.065

TPSA？: 230.14999999999992

MolLogP？: 6.441700000000008

Number of H-Donors: 3

Number of H-Acceptors: 16

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information