[4-[5-[7-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,6-dimethoxy-3-oxidanyl-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenyl]-2-methyl-butyl] ethanoate

Systemtic Name: [4-[5-[7-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,6-dimethoxy-3-oxidanyl-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenyl]-2-methyl-butyl] ethanoate Openeye Name: [4-[2-hydroxy-5-[3-hydroxy-5,6-dimethoxy-4-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-yl]phenyl]-2-methyl-butyl] acetate CAS Name: acetic acid [4-[2-hydroxy-5-[3-hydroxy-5,6-dimethoxy-4-oxo-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-2-yl]phenyl]-2-methylbutyl] ester IUPAC Name: [4-[2-hydroxy-5-[3-hydroxy-5,6-dimethoxy-4-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]phenyl]-2-methylbutyl] acetate Traditional Name: acetic acid [4-[2-hydroxy-5-[3-hydroxy-4-keto-5,6-dimethoxy-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromen-2-yl]phenyl]-2-methyl-butyl] ester Formula: C30H36O14 MolecularWeight: 620.59844

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)OC)OC)O)O)COC(=O)C

Isomeric SMILES

CC(CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)OC)O)O)COC(=O)C

InChI

InChI=1S/C30H36O14/c1-13(12-41-14(2)32)5-6-15-9-16(7-8-17(15)33)27-25(37)23(35)21-18(42-27)10-19(28(39-3)29(21)40-4)43-30-26(38)24(36)22(34)20(11-31)44-30/h7-10,13,20,22,24,26,30-31,33-34,36-38H,5-6,11-12H2,1-4H3/t13?,20-,22-,24+,26-,30+/m1/s1