1-[(1S)-1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-oxidanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-oxidanyl-ethyl]-3-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]-2-(phenylmethyl)guanidine hydrochloride

Systemtic Name: 1-[(1S)-1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-oxidanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-oxidanyl-ethyl]-3-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]-2-(phenylmethyl)guanidine hydrochloride Openeye Name: 1-[(1S)-1-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxy-ethyl]-2-benzyl-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl]guanidine hydrochloride CAS Name: 1-[(1S)-1-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethyl]-2-(phenylmethyl)-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxy-2-oxanyl]methyl]guanidine hydrochloride IUPAC Name: 1-[(1S)-1-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethyl]-2-benzyl-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]guanidine hydrochloride Traditional Name: 1-[(1S)-1-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxy-ethyl]-2-benzyl-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl]guanidine hydrochloride Formula: C24H38ClN3O10 MolecularWeight: 564.02562

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(C(OC2O1)C(CO)NC(=NCC3=CC=CC=C3)NCC4C(C(C(C(O4)OC)O)O)O)O)C.Cl

Isomeric SMILES

CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@H](CO)NC(=NCC3=CC=CC=C3)NC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OC)O)O)O)O)C.Cl

InChI

InChI=1S/C24H37N3O10.ClH/c1-24(2)36-20-18(32)19(35-22(20)37-24)13(11-28)27-23(25-9-12-7-5-4-6-8-12)26-10-14-15(29)16(30)17(31)21(33-3)34-14;/h4-8,13-22,28-32H,9-11H2,1-3H3,(H2,25,26,27);1H/t13-,14+,15+,16-,17+,18-,19+,20+,21-,22+;/m0./s1