IngredientID 10459

Alpha-spinasterol-beta-d-glucoside

C35H58O6

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: 12Ingredient: 1Links: 12

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 10459
Core Entity Id: 14786
Source Entity Count: 1
Preferred Name: Alpha-spinasterol-beta-d-glucoside
Name En
Pubchem Id: 11968950
Smiles Canonical: C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]([H])(C([H])([H])[H])\C([H])=C([H])\[C@@]([H])(C([H])([H])C([H])([H])[H])C([H])(C([H])( [H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]23[H])C3=C([H])C4([H])[H])[C@]4([H])C([H])([H])[C@@]1([H])O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O5
Molecular Formula: C35H58O6
Molecular Weight: 574.8430
Inchikey: ITYGLICZKGWOPA-XRCGALTHSA-N
Inchi: InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-9,11,20-24,26-33,36-39H,7,10,12-19H2,1-6H3/b9-8+/t21?,22-,23?,24+,26?,27?,28?,29-,30-,31+,32-,33-,34+,35-/m1/s1
Isomeric Smiles: CC[C@H](/C=C/C(C)C1CCC2[C@@]1(CCC3C2=CCC4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C
Cas Id
Ob Score: 21.3050
Mol Logp: 5.6250
Num H Donors: 4
Num H Acceptors: 6
Num Rotatable Bonds: 8
Drug Likeness: 0.2810
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Alpha-Spinasterol-Beta-D-Glucoside

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Alpha-spinasterol-beta-d-glucoside

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Alpha-spinasterol-beta-d-glucoside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

alpha-Spinasterol-beta-D-glucoside

Role

preferred

Source

TCMBank

Preferred

Yes

Name

alpha-Spinasterol-beta-D-glucoside

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

灰叶杜茎山

Role

TCM_name

Source

TCMBank

Preferred

Name

HUI YE DU JING SHAN

Role

TCM_name2

Source

TCMBank

Preferred

Name

GreyIeaf Maesa

Role

TCM_name_en

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

灰叶杜茎山HUI YE DU JING SHANGreyIeaf Maesa

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN015682

Npass

NPC293714

Tcmid

201532372038846

Tcmsp

MOL006022

Sym Map

SMIT07703SMIT17775SMIT18421

Tcm Id

6874

Pub Chem

11968950

Tcmbank

TCMBANKIN057288

Etcm Ingredient

alpha-Spinasterol-beta-D-glucoside

Itcmdb Generated

ITX-INGREDIENT-2D2D23089315ITX-INGREDIENT-F510AF2C8ED6

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-9,11,20-24,26-33,36-39H,7,10,12-19H2,1-6H3/b9-8+/t21?,22-,23?,24+,26?,27?,28?,29-,30-,31+,32-,33-,34+,35-/m1/s1

Mol Wt

574.8430000000002

Smiles

C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]([H])(C([H])([H])[H])\C([H])=C([H])\[C@@]([H])(C([H])([H])C([H])([H])[H])C([H])(C([H])( [H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]23[H])C3=C([H])C4([H])[H])[C@]4([H])C([H])([H])[C@@]1([H])O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O5

Mol Log P

5.625000000000009

Version

In Ch Ikey

ITYGLICZKGWOPA-XRCGALTHSA-N

Ob Score

21.305

Suppress

Tcm Name

灰叶杜茎山

Tcm Name2

HUI YE DU JING SHAN

Mol2 Path

/TCM_database/2003_3d_all/7863.mol2

Reference

2582661

Num Hdonors

Tcm Name En

GreyIeaf Maesa

Drug Likeness

0.281

Num Hacceptors

Isomeric Smiles

CC[C@H](/C=C/C(C)C1CCC2[C@@]1(CCC3C2=CCC4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C

Canonical Smiles

CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C

Molecular Weight

574.420

Molecular Formula

C35H58O6

Molecular Formula

C35H58O6

Molecular Formula

C35H58O6

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.963

Quantitative Estimate Of Drug Likeness（Qed）

0.281