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name Structure Reference Source Properties Activities Metabolism

N-[(2R,3R,4R,5S,6R)-2-({2-[(2S,4aS,8aS)-6-[(3S,4aR,5R,6aR,7R,9aR,9bS)-3-(2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-5-hydroxy-6a,9b-dimethyl-decahydroindeno[5,4-b]pyran-7-yl]-4a-methyl-2,3,4,7,8,8a-hexahydro

AlkaPlorer ID: AK028011

Synonym: None

IUPAC Name: N-[(2R,3R,4R,5S,6R)-2-[2-[(3S,4aR,5R,6aR,7R,9aR,9bS)-7-[(2S,4aS,8aS)-2-[2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxypropan-2-yl]-4a-methyl-2,3,4,7,8,8a-hexahydrochromen-6-yl]-5-hydroxy-6a,9b-dimethyl-1,2,3,4a,5,6,7,8,9,9a-decahydrocyclopenta[f]chromen-3-yl]propan-2-yloxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Structure

SMILES: COC[C@H]1O[C@H](OC(C)(C)[C@@H]2CC[C@@]3(C)C=C([C@H]4CC[C@@H]5[C@]4(C)C[C@@H](O)[C@@H]4O[C@H](C(C)(C)O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6N=C(C)O)CC[C@@]54C)CC[C@@H]3O2)[C@H](N=C(C)O)[C@@H](O)[C@@H]1O

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InChI: InChI=1S/C47H78N2O15/c1-23(51)48-34-38(56)36(54)28(21-50)59-41(34)63-44(5,6)32-16-18-46(8)30-13-12-26(47(30,9)20-27(53)40(46)62-32)25-11-14-33-45(7,19-25)17-15-31(61-33)43(3,4)64-42-35(49-24(2)52)39(57)37(55)29(60-42)22-58-10/h19,26-42,50,53-57H,11-18,20-22H2,1-10H3,(H,48,51)(H,49,52)/t26-,27-,28-,29-,30+,31+,32+,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,45+,46+,47-/m1/s1

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InChIKey: NLFUQHCGODFTIB-MXTGGHJASA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Malbranchea filamentosa Malbranchea Malbrancheaceae Onygenales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 911.1400000000002

TPSA？: 251.17

MolLogP？: 3.424000000000006

Number of H-Donors: 8

Number of H-Acceptors: 15

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information