IngredientID 2486
3-o-beta-d-glucopyranosyl-(1-6)-beta-d-glucopyranosyl oleanolic acid 28-beta-d-glucopyranosyl-(1-6)-beta-d-glucopyranosyl ester
C54H88O23
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
- 2486
- Core Entity Id
- 5951
- Source Entity Count
- 1
- Preferred Name
- 3-o-beta-d-glucopyranosyl-(1-6)-beta-d-glucopyranosyl oleanolic acid 28-beta-d-glucopyranosyl-(1-6)-beta-d-glucopyranosyl ester
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C54H88O23
- Molecular Weight
- 1104.5700
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-O-beta-D-Glucopyranosyl-(1-6)-beta-D-glucopyranosyl oleanolic acid 28-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-o-beta-d-glucopyranosyl-(1-6)-beta-d-glucopyranosyl oleanolic acid 28-beta-d-glucopyranosyl-(1-6)-beta-d-glucopyranosyl ester
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-o-beta-d-glucopyranosyl-(1-6)-beta-d-glucopyranosyl oleanolic acid 28-beta-d-glucopyranosyl-(1-6)-beta-d-glucopyranosyl ester
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-o-beta-d-glucopyranosyl-(1→6)-beta-d-glucopy-ranosyl oleanolicacid 28-beta-d-glucopyranos-yl-(1→6)-beta-d-glucopyranosyl ester
Role
preferred
Source
HERB_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
3-o-beta-d-glucopyranosyl-(1→6)-beta-d-glucopy-ranosyl oleanolicacid 28-beta-d-glucopyranos-yl-(1→6)-beta-d-glucopyranosyl ester
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009204HBIN009205
Tcmid
256848647
Tcmbank
TCMBANKIN047339
Etcm Ingredient
3-O--beta-D-Glucopyranosyl-(1->6)--beta-D-glucopyranosyl oleanolic acid 28--beta-D-glucopyranosyl-(1->6)--beta-D-glucopyranosyl ester3-O-beta-D-Glucopyranosyl-(1-6)-beta-D-glucopyranosyl oleanolic acid 28-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester
Itcmdb Generated
ITX-INGREDIENT-164D8613EBD8ITX-INGREDIENT-4C006F9ADBA0
Attributes
Merged source attributes and domain-specific metadata.
Mol2 Path
/TCM_database/2003_3d_all/3435.mol2
Reference
766
Molecular Weight
1104.570
Molecular Formula
C54H88O23
Molecular Formula
C54H88O23
Molecular Formula
C54H88O23
Fda Maximum Daily Dose (Fdamdd)
0.0230.138
Quantitative Estimate Of Drug Likeness（Qed）
0.057