3-(7-methoxy-1,3-benzodioxol-5-yl)-7-oxidanyl-6-[(2S,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chromen-4-one

Systemtic Name: 3-(7-methoxy-1,3-benzodioxol-5-yl)-7-oxidanyl-6-[(2S,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chromen-4-one Openeye Name: 7-hydroxy-3-(7-methoxy-1,3-benzodioxol-5-yl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one CAS Name: 7-hydroxy-3-(7-methoxy-1,3-benzodioxol-5-yl)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(7-methoxy-1,3-benzodioxol-5-yl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one Traditional Name: 7-hydroxy-3-(7-methoxy-1,3-benzodioxol-5-yl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone Formula: C28H30O16 MolecularWeight: 622.5282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C3=COC4=CC(=C(C=C4C3=O)OC5C(C(C(C(O5)COC6C(C(C(CO6)O)O)O)O)O)O)O

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C3=COC4=CC(=C(C=C4C3=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)O)O)O

InChI

InChI=1S/C28H30O16/c1-37-17-2-10(3-18-26(17)42-9-41-18)12-6-38-15-5-13(29)16(4-11(15)20(12)31)43-28-25(36)23(34)22(33)19(44-28)8-40-27-24(35)21(32)14(30)7-39-27/h2-6,14,19,21-25,27-30,32-36H,7-9H2,1H3/t14-,19-,21+,22-,23+,24-,25-,27+,28-/m1/s1