Dolichantoside

AlkaPlorer ID: AK021682

Synonym: ''

IUPAC Name: methyl (2S,3R,4S)-3-ethenyl-4-[[(1R)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

Structure

SMILES: C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1C2=C(CCN1C)C1=CC=CC=C1N2

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InChI: InChI=1S/C28H36N2O9/c1-4-14-17(11-20-22-16(9-10-30(20)2)15-7-5-6-8-19(15)29-22)18(26(35)36-3)13-37-27(14)39-28-25(34)24(33)23(32)21(12-31)38-28/h4-8,13-14,17,20-21,23-25,27-29,31-34H,1,9-12H2,2-3H3/t14-,17+,20-,21-,23-,24+,25-,27+,28+/m1/s1

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InChIKey: SLMISZLSXLAAKK-LWYVEOIXSA-N

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Source

Properties Information

Molecule Weight: 544.6010000000003

TPSA: 153.94

MolLogP: 0.7351000000000005

Number of H-Donors: 5

Number of H-Acceptors: 10

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information