Grandifline B

AlkaPlorer ID: AK010119

Synonym: None

IUPAC Name: None

Structure

SMILES: O[C@@]1([C@]2([C@H]([C@@]3(C[C@]2([C@]45C6N(C([C@](CC[C@@H]4OC)([C@]5([C@@H]([C@@]1(O6)O)OC)[H])CO)=O)CC)[H])[H])OC)[H])C[C@@H]3OC

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InChI: InChI=1S/C25H39NO9/c1-6-26-20(28)22(11-27)8-7-15(32-3)24-13-9-12-14(31-2)10-23(29,16(13)17(12)33-4)25(30,35-21(24)26)19(34-5)18(22)24/h12-19,21,27,29-30H,6-11H2,1-5H3/t12-,13-,14+,15+,16-,17+,18-,19+,21?,22+,23-,24+,25+/m1/s1

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InChIKey: UDNOZKPXEJNINK-PNPVQSMNSA-N

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Source

Properties Information

Molecule Weight: 497.5850000000003

TPSA: 127.15000000000003

MolLogP: -0.2707999999999966

Number of H-Donors: 3

Number of H-Acceptors: 9

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information