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
- 23269
- Core Entity Id
- 29048
- Source Entity Count
- 1
- Preferred Name
- Jionoside b2
- Name En
- Pubchem Id
- 156612955
- Smiles Canonical
- CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)OC)COC4C(C(C(C(O4)CO)O)O)O)OCCC5=CC(=C(C=C5)OC)O)O)O)O)O
- Molecular Formula
- C37H50O20
- Molecular Weight
- 814.7800
- Inchikey
- FXFHFOSEURHWMO-ISFNFAGOSA-N
- Inchi
- InChI=1S/C37H50O20/c1-16-26(42)28(44)31(47)37(53-16)57-34-32(48)36(51-11-10-18-5-8-21(49-2)20(40)12-18)55-24(15-52-35-30(46)29(45)27(43)23(14-38)54-35)33(34)56-25(41)9-6-17-4-7-19(39)22(13-17)50-3/h4-9,12-13,16,23-24,26-40,42-48H,10-11,14-15H2,1-3H3/b9-6-/t16-,23+,24+,26-,27-,28+,29-,30+,31+,32+,33+,34+,35+,36+,37-/m0/s1
- Isomeric Smiles
- Cas Id
- 120445-12-7
- Ob Score
- Mol Logp
- -1.4000
- Num H Donors
- 10
- Num H Acceptors
- 20
- Num Rotatable Bonds
- 16
- Drug Likeness
- Polar Surface Area
- 302.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Jionoside B2
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Jionoside b2
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Jionoside b2
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
jionoside b2
Role
preferred
Source
TCMBank
Preferred
Yes
Name
jionoside b 2
Role
alias
Source
TCMBank
Preferred
No
Name
jionoside b 2
Role
alias
Source
itcmdb_public
Preferred
No
Name
jionoside b 2
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
jionoside b 2
Cross References
Trusted external identifiers retained for this final record.
Cas
120445-12-7
Herb
HBIN031549
Tcmid
11880
Tcm Id
3275
Tcmbank
TCMBANKIN033232
Etcm Ingredient
Jionoside B2
Itcmdb Generated
ITX-INGREDIENT-0E5F5E4160DD
Attributes
Merged source attributes and domain-specific metadata.
Cas Id
120445-12-7
Herb Alias Names
jionoside b 2
Molecular Weight
814.290
Molecular Weight
814.78
Molecular Formula
C37H50O20
Molecular Formula
C37H50O20
Molecular Formula
C37H50O20
Fda Maximum Daily Dose (Fdamdd)
0.001
Quantitative Estimate Of Drug Likeness（Qed）
0.065