(2S,3R,4S,5S,6R)-2-[[(4aR,5S,6R,7aS)-6-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(hydroxymethyl)-5,7-bis(oxidanyl)-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Systemtic Name: (2S,3R,4S,5S,6R)-2-[[(4aR,5S,6R,7aS)-6-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(hydroxymethyl)-5,7-bis(oxidanyl)-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol Openeye Name: (2S,3R,4S,5S,6R)-2-[[(4aR,5S,6R,7aS)-6-[2-(3,4-dimethoxyphenyl)ethylamino]-5,7-dihydroxy-7-(hydroxymethyl)-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: (2S,3R,4S,5S,6R)-2-[[(4aR,5S,6R,7aS)-6-[2-(3,4-dimethoxyphenyl)ethylamino]-5,7-dihydroxy-7-(hydroxymethyl)-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: (2S,3R,4S,5S,6R)-2-[[(4aR,5S,6R,7aS)-6-[2-(3,4-dimethoxyphenyl)ethylamino]-5,7-dihydroxy-7-(hydroxymethyl)-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: (2S,3R,4S,5S,6R)-2-[[(4aR,5S,6R,7aS)-6-(homoveratrylamino)-5,7-dihydroxy-7-methylol-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol Formula: C25H39NO12 MolecularWeight: 545.57666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2C(C3CCOC(C3C2(CO)O)OC4C(C(C(C(O4)CO)O)O)O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN[C@@H]2[C@H]([C@@H]3CCOC([C@@H]3C2(CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)OC

InChI

InChI=1S/C25H39NO12/c1-34-14-4-3-12(9-15(14)35-2)5-7-26-22-18(29)13-6-8-36-23(17(13)25(22,33)11-28)38-24-21(32)20(31)19(30)16(10-27)37-24/h3-4,9,13,16-24,26-33H,5-8,10-11H2,1-2H3/t13-,16-,17-,18+,19-,20+,21-,22-,23?,24+,25?/m1/s1