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
- 12033
- Core Entity Id
- 16543
- Source Entity Count
- 1
- Preferred Name
- Beesioside e
- Name En
- Pubchem Id
- 15907805
- Smiles Canonical
- CC1(C2CCC3C4(C(C(C(C4(CCC35C2(C5)CCC1OC6C(C(C(CO6)O)O)O)CO)C7(CCC(O7)C(C)(C)O)C)O)O)C)C
- Molecular Formula
- C35H58O10
- Molecular Weight
- 638.4000
- Inchikey
- BANZWCKTTWTQOO-KOLAYCCCSA-N
- Inchi
- InChI=1S/C35H58O10/c1-29(2)19-7-8-20-32(6)27(41)25(40)26(31(5)11-9-22(45-31)30(3,4)42)35(32,17-36)14-13-34(20)16-33(19,34)12-10-21(29)44-28-24(39)23(38)18(37)15-43-28/h18-28,36-42H,7-17H2,1-6H3/t18-,19+,20+,21+,22-,23+,24-,25-,26-,27+,28+,31+,32-,33-,34+,35+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.8000
- Num H Donors
- 7
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 169.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Beesioside E
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Beesioside e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Beesioside e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
beesioside e
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN017679
Tcmid
2196
Tcmbank
TCMBANKIN043705
Etcm Ingredient
Beesioside E
Itcmdb Generated
ITX-INGREDIENT-6DBE7C95E4D5
Attributes
Merged source attributes and domain-specific metadata.
Mol2 Path
/TCM_database/2007_3d_all/02196.mol2
Reference
3099
Molecular Weight
638.400
Molecular Formula
C35H58O10
Molecular Formula
C35H58O10
Molecular Formula
C35H58O10
Fda Maximum Daily Dose (Fdamdd)
0.873
Quantitative Estimate Of Drug Likeness（Qed）
0.221