Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10461
- Core Entity Id
- 14788
- Source Entity Count
- 1
- Preferred Name
- Alpha-spinasteryl-3-o-beta-d-glucoside
- Name En
- Pubchem Id
- 12960505
- Smiles Canonical
- CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
- Molecular Formula
- C35H58O6
- Molecular Weight
- 574.8000
- Inchikey
- ITYGLICZKGWOPA-FDZHQVDOSA-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
- Cas Id
- Ob Score
- Mol Logp
- 6.7000
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 8
- Drug Likeness
- Polar Surface Area
- 99.4000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Alpha-spinasteryl-3-o-beta-d-glucoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Alpha-spinasteryl-3-o-beta-d-glucoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015685
Tcmid
36288