Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 63160
- Core Entity Id
- 110178
- Source Entity Count
- 1
- Preferred Name
- Asparagoside B
- Name En
- Pubchem Id
- 101306907
- Smiles Canonical
- CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)O)C)C)OC1(CCC(C)COC6C(C(C(C(O6)CO)O)O)O)O
- Molecular Formula
- C33H56O9
- Molecular Weight
- 596.8000
- Inchikey
- FBJYDOQUXQMQSS-TXUJEBAWSA-N
- Inchi
- InChI=1S/C33H56O9/c1-17(16-40-30-29(38)28(37)27(36)25(15-34)41-30)7-12-33(39)18(2)26-24(42-33)14-23-21-6-5-19-13-20(35)8-10-31(19,3)22(21)9-11-32(23,26)4/h17-30,34-39H,5-16H2,1-4H3/t17-,18-,19+,20-,21+,22-,23-,24-,25+,26-,27+,28-,29+,30+,31-,32-,33+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.9000
- Num H Donors
- 6
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 149.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Asparagoside B
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Asparagoside B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT22445
Itcmdb Generated
ITX-INGREDIENT-84E5D95A4553
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0