(2S,3R,4S,5R,6S)-2-[[(2R,4R,4aR,6S,7S,8S,8aR)-6-[(2S,3S,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-6-methoxy-2-methyl-4,5-bis(oxidanyl)oxan-3-yl]oxy-5-oxidanyl-3-phenylmethoxy-6-(2-phenylmethoxyethyl)oxan-4-yl]oxy-2-phenyl-7-phenylmethoxy-4-(phenylmethoxymethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-6-methyl-5-phenylmethoxy-oxane-3,4-diol

Systemtic Name: (2S,3R,4S,5R,6S)-2-[[(2R,4R,4aR,6S,7S,8S,8aR)-6-[(2S,3S,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-6-methoxy-2-methyl-4,5-bis(oxidanyl)oxan-3-yl]oxy-5-oxidanyl-3-phenylmethoxy-6-(2-phenylmethoxyethyl)oxan-4-yl]oxy-2-phenyl-7-phenylmethoxy-4-(phenylmethoxymethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-6-methyl-5-phenylmethoxy-oxane-3,4-diol Openeye Name: (2S,3R,4S,5R,6S)-2-[[(2R,4R,4aR,6S,7S,8S,8aR)-7-benzyloxy-6-[(2R,3R,4S,5S,6S)-5-benzyloxy-2-(2-benzyloxyethyl)-6-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methoxy-2-methyl-tetrahydropyran-3-yl]oxy-3-hydroxy-tetrahydropyran-4-yl]oxy-4-(benzyloxymethyl)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-benzyloxy-6-methyl-tetrahydropyran-3,4-diol CAS Name: (2S,3R,4S,5R,6S)-2-[[(2R,4R,4aR,6S,7S,8S,8aR)-6-[[(2S,3S,4S,5R,6R)-2-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methoxy-2-methyl-3-oxanyl]oxy]-5-hydroxy-3-phenylmethoxy-6-(2-phenylmethoxyethyl)-4-oxanyl]oxy]-2-phenyl-7-phenylmethoxy-4-(phenylmethoxymethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-6-methyl-5-phenylmethoxyoxane-3,4-diol IUPAC Name: (2S,3R,4S,5R,6S)-2-[[(2R,4R,4aR,6S,7S,8S,8aR)-6-[(2S,3S,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl]oxy-5-hydroxy-3-phenylmethoxy-6-(2-phenylmethoxyethyl)oxan-4-yl]oxy-2-phenyl-7-phenylmethoxy-4-(phenylmethoxymethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-6-methyl-5-phenylmethoxyoxane-3,4-diol Traditional Name: (2S,3R,4S,5R,6S)-2-[[(2R,4R,4aR,6S,7S,8S,8aR)-7-benzoxy-6-[(2R,3R,4S,5S,6S)-5-benzoxy-2-(2-benzoxyethyl)-6-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methoxy-2-methyl-tetrahydropyran-3-yl]oxy-3-hydroxy-tetrahydropyran-4-yl]oxy-4-(benzoxymethyl)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-benzoxy-6-methyl-tetrahydropyran-3,4-diol Formula: C69H82O20 MolecularWeight: 1231.37738

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C3C(C(OC(O3)C4=CC=CC=C4)COCC5=CC=CC=C5)OC(C2OCC6=CC=CC=C6)OC7C(C(OC(C7OCC8=CC=CC=C8)OC9C(OC(C(C9O)O)OC)C)CCOCC1=CC=CC=C1)O)O)O)OCC1=CC=CC=C1

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@H]3[C@@H]([C@H](O[C@H](O3)C4=CC=CC=C4)COCC5=CC=CC=C5)O[C@H]([C@H]2OCC6=CC=CC=C6)O[C@H]7[C@@H]([C@H](O[C@H]([C@H]7OCC8=CC=CC=C8)O[C@H]9[C@@H](O[C@H]([C@@H]([C@@H]9O)O)OC)C)CCOCC1=CC=CC=C1)O)O)O)OCC1=CC=CC=C1

InChI

InChI=1S/C69H82O20/c1-42-57(78-38-46-26-14-6-15-27-46)53(71)56(74)67(82-42)89-62-61-59(51(41-77-37-45-24-12-5-13-25-45)84-65(88-61)49-32-20-9-21-33-49)86-69(64(62)80-40-48-30-18-8-19-31-48)87-60-52(70)50(34-35-76-36-44-22-10-4-11-23-44)83-68(63(60)79-39-47-28-16-7-17-29-47)85-58-43(2)81-66(75-3)55(73)54(58)72/h4-33,42-43,50-74H,34-41H2,1-3H3/t42-,43-,50+,51+,52+,53-,54-,55+,56+,57-,58-,59+,60-,61+,62-,63-,64-,65+,66+,67-,68-,69-/m0/s1