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
- 64089
- Core Entity Id
- 111107
- Source Entity Count
- 1
- Preferred Name
- Isopoliumoside
- Name En
- Pubchem Id
- 177828036
- Smiles Canonical
- CC1C(C(C(C(O1)OC2C(OC(C(C2OC3C(C(C(C(O3)C)O)O)O)O)OCCC4=CC(=C(C=C4)O)O)COC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O
- Molecular Formula
- C35H46O19
- Molecular Weight
- 770.7000
- Inchikey
- KZUSOKNQHKKQMT-NTQYHSIGSA-N
- Inchi
- InChI=1S/C35H46O19/c1-14-24(41)26(43)28(45)34(50-14)53-31-22(13-49-23(40)8-5-16-3-6-18(36)20(38)11-16)52-33(48-10-9-17-4-7-19(37)21(39)12-17)30(47)32(31)54-35-29(46)27(44)25(42)15(2)51-35/h3-8,11-12,14-15,22,24-39,41-47H,9-10,13H2,1-2H3/b8-5+/t14-,15-,22+,24-,25-,26+,27+,28+,29+,30+,31+,32+,33+,34-,35-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -1.6000
- Num H Donors
- 11
- Num H Acceptors
- 19
- Num Rotatable Bonds
- 13
- Drug Likeness
- Polar Surface Area
- 304.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Isopoliumoside
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Isopoliumoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT24725
Itcmdb Generated
ITX-INGREDIENT-1B159CA4C626
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0