IngredientID 37261

Zizybeoside i

C19H28O11

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

Click a node to open it in a new tab

Herb: 4Ingredient: 1Target: 2Links: 6

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 37261
Core Entity Id: 44622
Source Entity Count: 1
Preferred Name: Zizybeoside i
Name En
Pubchem Id: 11972301
Smiles Canonical: C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O
Molecular Formula: C19H28O11
Molecular Weight: 432.4220
Inchikey: WKXRKKUZTXIFJY-UELUTJGDSA-N
Inchi: InChI=1S/C19H28O11/c20-6-10-12(22)14(24)16(26)18(28-10)30-17-15(25)13(23)11(7-21)29-19(17)27-8-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18+,19-/m1/s1
Isomeric Smiles: C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Cas Id: 10-44-6
Ob Score: 13.8867
Mol Logp: -3.1727
Num H Donors: 7
Num H Acceptors: 11
Num Rotatable Bonds: 7
Drug Likeness: 0.2310
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Zizybeoside I

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Zizybeoside I

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Zizybeoside I

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Zizybeoside i

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Zizybeoside i

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

(2S,3R,4S,5S,6R)-2-((2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Role

alias

Source

HERB_v2

Preferred

Name

(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-(benzyloxy)-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol

Role

alias

Source

TCMBank

Preferred

Name

(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(phenylmethoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Role

alias

Source

TCMBank

Preferred

Name

(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(phenylmethoxy)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

Role

alias

Source

TCMBank

Preferred

Name

(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Role

alias

Source

itcmdb_public

Preferred

Name

(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(phenylmethoxy)-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

Role

alias

Source

TCMBank

Preferred

Name

10-44-6

Role

alias

Source

TCMBank

Preferred

Name

76819-28-8

Role

alias

Source

HERB_v2

Preferred

Name

76819-28-8

Role

alias

Source

itcmdb_public

Preferred

Name

Benzyl 2-O-beta-D-glucopyranosyl beta-D-glucopyranoside

Role

alias

Source

TCMBank

Preferred

Name

C17564

Role

alias

Source

HERB_v2

Preferred

Name

C17564

Role

alias

Source

TCMBank

Preferred

Name

C17564

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:81187

Role

alias

Source

HERB_v2

Preferred

Name

CHEBI:81187

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:81187

Role

alias

Source

TCMBank

Preferred

Name

DTXSID701317738

Role

alias

Source

HERB_v2

Preferred

Name

DTXSID701317738

Role

alias

Source

itcmdb_public

Preferred

Name

Q27155133

Role

alias

Source

HERB_v2

Preferred

Name

Q27155133

Role

alias

Source

itcmdb_public

Preferred

Name

zizybeoside i

Role

alias

Source

TCMBank

Preferred

Name

插入十万错

Role

TCM_name

Source

TCMBank

Preferred

Name

CHA RU SHI WAN CUO

Role

TCM_name2

Source

TCMBank

Preferred

Name

Ya-Yaa (Thai name)

Role

TCM_name_en

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

(2S,3R,4S,5S,6R)-2-((2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-(benzyloxy)-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(phenylmethoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(phenylmethoxy)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(phenylmethoxy)-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol10-44-676819-28-8Benzyl 2-O-beta-D-glucopyranosyl beta-D-glucopyranosideC17564CHEBI:81187DTXSID701317738Q27155133插入十万错CHA RU SHI WAN CUOYa-Yaa (Thai name)

Cross References

Trusted external identifiers retained for this final record.

Cas

10-44-6

Herb

HBIN049018

Npass

NPC166752

Tcmid

22995

Tcmsp

MOL011543

Sym Map

SMIT12424SMIT18286

Pub Chem

11972301

Tcmbank

TCMBANKIN015829TCMBANKIN052068

Etcm Ingredient

Zizybeoside I

Itcmdb Generated

ITX-INGREDIENT-CF19E677E9CEITX-INGREDIENT-02168893EB47

Attributes

Merged source attributes and domain-specific metadata.

In Ch I

InChI=1S/C19H28O11/c20-6-10-12(22)14(24)16(26)18(28-10)30-17-15(25)13(23)11(7-21)29-19(17)27-8-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18+,19-/m1/s1

Mol Wt

432.4220000000001

Cas Id

10-44-6

Smiles

C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O

Mol Log P

-3.172699999999995

Version

v1,v2

In Ch Ikey

WKXRKKUZTXIFJY-UELUTJGDSA-N

Ob Score

13.8867313.8867302713.887

Suppress

Tcm Name

插入十万错

Tcm Name2

CHA RU SHI WAN CUO

Mol2 Path

/TCM_database/2003_3d_all/9115.mol2

Reference

2, 2589

Num Hdonors

Tcm Name En

Ya-Yaa (Thai name)

Drug Likeness

0.231

Num Hacceptors

Isomeric Smiles

C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

Molecule Weight

432.47

Canonical Smiles

C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O

Herb Alias Names

76819-28-8(2S,3R,4S,5S,6R)-2-((2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolCHEBI:81187DTXSID701317738C17564Q27155133

Molecular Weight

432.160

Molecular Weight

432.4 g/mol

Molecular Formula

C19H28O11

Molecular Formula

C19H28O11

Molecular Formula

C19H28O11

Num Rotatable Bonds

Link Ingredient Id

12424.0

Fda Maximum Daily Dose (Fdamdd)

0.001

Quantitative Estimate Of Drug Likeness（Qed）

0.231