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
- 17806
- Core Entity Id
- 22963
- Source Entity Count
- 1
- Preferred Name
- Ebracteatoside d
- Name En
- Pubchem Id
- 636597
- Smiles Canonical
- C=CC(CCCCCO)OC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O
- Molecular Formula
- C19H34O11
- Molecular Weight
- 438.4700
- Inchikey
- KTXHXKVYQSVMQS-XXVXCGOISA-N
- Inchi
- InChI=1S/C19H34O11/c1-2-10(6-4-3-5-7-20)29-19-17(26)15(24)14(23)12(30-19)9-28-18-16(25)13(22)11(21)8-27-18/h2,10-26H,1,3-9H2/t10-,11+,12+,13-,14+,15-,16+,17+,18-,19+/m0/s1
- Isomeric Smiles
- C=C[C@@H](CCCCCO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.6265
- Num H Donors
- 7
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 11
- Drug Likeness
- 0.1330
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ebracteatoside D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ebracteatoside d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ebracteatoside d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
小花老鼠簕
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIAO HUA LAO SHU LE
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
小花老鼠簕XIAO HUA LAO SHU LE
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024768
Tcmid
6665
Pub Chem
636597
Tcmbank
TCMBANKIN042032
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H34O11/c1-2-10(6-4-3-5-7-20)29-19-17(26)15(24)14(23)12(30-19)9-28-18-16(25)13(22)11(21)8-27-18/h2,10-26H,1,3-9H2/t10-,11+,12+,13-,14+,15-,16+,17+,18-,19+/m0/s1
Mol Wt
438.4700000000001
Mol Log P
-2.626499999999997
In Ch Ikey
KTXHXKVYQSVMQS-XXVXCGOISA-N
Tcm Name
小花老鼠簕
Tcm Name2
XIAO HUA LAO SHU LE
Mol2 Path
/TCM_database/2007_3d_all/06666.mol2
Reference
5211
Num Hdonors
7
Drug Likeness
0.133
Num Hacceptors
11
Isomeric Smiles
C=C[C@@H](CCCCCO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O)O)O
Canonical Smiles
C=CC(CCCCCO)OC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O
Molecular Weight
438.5 g/mol
Molecular Formula
C19H34O11
Num Rotatable Bonds
11