(Q27134223)

BULBINELONESIDE D (English)

1-[3-acetyl-2,6-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4,5-dihydroxy-2-methylanthracene-9,10-dione

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₂₆O₁₃

1 reference

BULBINELONESIDE D (English)

7 October 2016

canonical SMILES

CC1=CC(=C2C(=C1C3=C(C(=C(C=C3O)OC4C(C(C(C(O4)CO)O)O)O)C(=O)C)O)C(=O)C5=C(C2=O)C(=CC=C5)O)O

1 reference

BULBINELONESIDE D (English)

7 October 2016

isomeric SMILES

CC1=CC(=C2C(=C1C3=C(C(=C(C=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)C)O)C(=O)C5=C(C2=O)C(=CC=C5)O)O

1 reference

Gaboroquinones A and B and 4'-O-demethylknipholone-4'-O-beta-D-glucopyranoside, phenylanthraquinones from the roots of Bulbine frutescens

BULBINELONESIDE D (English)

7 October 2016

3 references

Joziknipholones A and B: the first dimeric phenylanthraquinones, from the roots of Bulbine frutescens

The first 6′-O-sulfated phenylanthraquinones: isolation from Bulbine frutescens, structural elucidation, enantiomeric purity, and partial synthesis

Bulbinella floribunda

1 reference

Bulbinelonesides A-E, phenylanthraquinone glycosides from the roots of Bulbinella floribunda

Identifiers

InChI

InChI=1S/C29H26O13/c1-9-6-13(33)21-22(23(35)11-4-3-5-12(32)19(11)26(21)38)17(9)20-14(34)7-15(18(10(2)31)25(20)37)41-29-28(40)27(39)24(36)16(8-30)42-29/h3-7,16,24,27-30,32-34,36-37,39-40H,8H2,1-2H3/t16-,24-,27+,28-,29-/m1/s1

1 reference

BULBINELONESIDE D (English)

AOJYFODHRHWWEN-GQUXZSRASA-N

7 October 2016

InChIKey

2 references

BULBINELONESIDE D (English)

7 October 2016

ChEBI release 2020-09-01

1 reference

Bulbineloneside D (English)

7 October 2016

2 references

BULBINELONESIDE D (English)

matched by identifier from

7 October 2016

InChIKey

AOJYFODHRHWWEN-GQUXZSRASA-N

Reaxys registry number

10140237

1 reference

4'-O-demethylknipholone-4'-O-beta-D-glucopyranoside (English)

7 October 2016

ChEBI ID

65741

mapping relation type

2 references

4'-O-demethylknipholone-4'-O-beta-D-glucopyranoside (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C29H26O13/c1-9-6-13(33)21-22(23(35)11-4-3-5-12(32)19(11)26(21)38)17(9)20-14(34)7-15(18(10(2)31)25(20)37)41-29-28(40)27(39)24(36)16(8-30)42-29/h3-7,16,24,27-30,32-34,36-37,39-40H,8H2,1-2H3/t16-,24-,27+,28-,29-/m1/s1

1 reference