Structural Complex
Chemical ID: PRD_002507
IUPAC Name: Agrocinopine C-like (D-glucos-2-yl sucros-3-yl phosphate; alpha-D-glucose form)
Formal Charge: ?
Type: saccharide
Physiochemical Descriptor:
Formula: C18 H33 O19 P
Molecular weight: 584.417
Hydrogen Bond Acceptor:
Hydrogen Bond Donor:
Rotatable Bonds:
Heavy Atoms:
Systematic name
Program Version Descriptor
OpenEye OEToolkits 2.0.7 [(2~{R},3~{R},4~{S},5~{R},6~{R})-2-[(2~{S},3~{S},4~{S},5~{R})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
Chemical Descriptors
Type Program Version Descriptor
SMILES_CANONICAL CACTVS 3.385 OC[C@H]1O[C@H](O)[C@H](O[P](O)(=O)O[C@@H]2[C@H](O)[C@@H](CO)O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1O
SMILES CACTVS 3.385 OC[CH]1O[CH](O)[CH](O[P](O)(=O)O[CH]2[CH](O)[CH](CO)O[CH](O[C]3(CO)O[CH](CO)[CH](O)[CH]3O)[CH]2O)[CH](O)[CH]1O
SMILES_CANONICAL OpenEye OEToolkits 2.0.7 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OP(=O)(O)O[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)CO)O)O)O)O
SMILES OpenEye OEToolkits 2.0.7 C(C1C(C(C(C(O1)O)OP(=O)(O)OC2C(C(OC(C2O)OC3(C(C(C(O3)CO)O)O)CO)CO)O)O)O)O
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