2-[2-(hydroxymethyl)-6-[[2-(hydroxymethyl)-6-methyl-5-(methylamino)-4-oxidanyl-oxan-3-yl]methoxymethyl]-5-(methylamino)-3-oxidanyl-oxan-4-yl]oxypropanoyloxymethyl 5-azanyl-2-oxidanyl-benzoate

Systemtic Name: 2-[2-(hydroxymethyl)-6-[[2-(hydroxymethyl)-6-methyl-5-(methylamino)-4-oxidanyl-oxan-3-yl]methoxymethyl]-5-(methylamino)-3-oxidanyl-oxan-4-yl]oxypropanoyloxymethyl 5-azanyl-2-oxidanyl-benzoate Openeye Name: 2-[5-hydroxy-2-[[4-hydroxy-2-(hydroxymethyl)-6-methyl-5-(methylamino)tetrahydropyran-3-yl]methoxymethyl]-6-(hydroxymethyl)-3-(methylamino)tetrahydropyran-4-yl]oxypropanoyloxymethyl 5-amino-2-hydroxy-benzoate CAS Name: 5-amino-2-hydroxybenzoic acid [2-[[5-hydroxy-2-[[4-hydroxy-2-(hydroxymethyl)-6-methyl-5-(methylamino)-3-oxanyl]methoxymethyl]-6-(hydroxymethyl)-3-(methylamino)-4-oxanyl]oxy]-1-oxopropoxy]methyl ester IUPAC Name: 2-[5-hydroxy-2-[[4-hydroxy-2-(hydroxymethyl)-6-methyl-5-(methylamino)oxan-3-yl]methoxymethyl]-6-(hydroxymethyl)-3-(methylamino)oxan-4-yl]oxypropanoyloxymethyl 5-amino-2-hydroxybenzoate Traditional Name: 5-amino-2-hydroxy-benzoic acid 2-[5-hydroxy-2-[[4-hydroxy-6-methyl-5-(methylamino)-2-methylol-tetrahydropyran-3-yl]methoxymethyl]-3-(methylamino)-6-methylol-tetrahydropyran-4-yl]oxypropanoyloxymethyl ester Formula: C28H45N3O13 MolecularWeight: 631.6692

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)CO)COCC2C(C(C(C(O2)CO)O)OC(C)C(=O)OCOC(=O)C3=C(C=CC(=C3)N)O)NC)O)NC

Isomeric SMILES

CC1C(C(C(C(O1)CO)COCC2C(C(C(C(O2)CO)O)OC(C)C(=O)OCOC(=O)C3=C(C=CC(=C3)N)O)NC)O)NC

InChI

InChI=1S/C28H45N3O13/c1-13-22(30-3)24(35)17(19(8-32)42-13)10-39-11-21-23(31-4)26(25(36)20(9-33)44-21)43-14(2)27(37)40-12-41-28(38)16-7-15(29)5-6-18(16)34/h5-7,13-14,17,19-26,30-36H,8-12,29H2,1-4H3