IngredientID 1683
2beta-o-beta-d-glucopyranosyl-15alpha-hydroxy-kaur-16-ene-18,19-dicarboxylic acid
C28H42O11
Relationship Network
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Herb: 1Ingredient: 1Links: 1
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1683
- Core Entity Id
- 5060
- Source Entity Count
- 1
- Preferred Name
- 2beta-o-beta-d-glucopyranosyl-15alpha-hydroxy-kaur-16-ene-18,19-dicarboxylic acid
- Name En
- Pubchem Id
- 177826497
- Smiles Canonical
- CC12CC(CC(C1CCC34C2CCC(C3)C(=C)C4O)(CC(=O)O)CC(=O)O)OC5C(C(C(C(O5)CO)O)O)O
- Molecular Formula
- C28H42O11
- Molecular Weight
- 554.6000
- Inchikey
- OZJOAVSGDGZPKP-DYQONXFFSA-N
- Inchi
- InChI=1S/C28H42O11/c1-13-14-3-4-18-26(2)8-15(38-25-23(36)22(35)21(34)16(12-29)39-25)9-27(10-19(30)31,11-20(32)33)17(26)5-6-28(18,7-14)24(13)37/h14-18,21-25,29,34-37H,1,3-12H2,2H3,(H,30,31)(H,32,33)/t14-,15-,16+,17+,18+,21+,22-,23+,24-,25+,26-,28-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.2000
- Num H Donors
- 7
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 194.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2beta-o-beta-d-glucopyranosyl-15alpha-hydroxy-kaur-16-ene-18,19-dicarboxylic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2beta-o-beta-d-glucopyranosyl-15alpha-hydroxy-kaur-16-ene-18,19-dicarboxylic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005402
Tcmid
41452