[2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-4-oxidanylidene-chromen-7-yl] (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoate

Systemtic Name: [2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-4-oxidanylidene-chromen-7-yl] (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoate Openeye Name: [2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-7-yl] (2S)-2-amino-5-guanidino-pentanoate CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid [2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-7-yl] ester IUPAC Name: [2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-7-yl] (2S)-2-amino-5-(diaminomethylideneamino)pentanoate Traditional Name: (2S)-2-amino-5-guanidino-valeric acid [2-(3,4-dihydroxyphenyl)-5-hydroxy-4-keto-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-7-yl] ester Formula: C33H42N4O17 MolecularWeight: 766.70318

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC(=O)C(CCCN=C(N)N)N)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC(=O)[C@H](CCCN=C(N)N)N)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O

InChI

InChI=1S/C33H42N4O17/c1-11-21(41)24(44)26(46)31(50-11)49-10-19-22(42)25(45)27(47)32(53-19)54-29-23(43)20-17(40)8-13(51-30(48)14(34)3-2-6-37-33(35)36)9-18(20)52-28(29)12-4-5-15(38)16(39)7-12/h4-5,7-9,11,14,19,21-22,24-27,31-32,38-42,44-47H,2-3,6,10,34H2,1H3,(H4,35,36,37)/t11-,14-,19+,21-,22+,24+,25-,26+,27+,31+,32-/m0/s1