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
- 17820
- Core Entity Id
- 22980
- Source Entity Count
- 1
- Preferred Name
- Ebracteatoside a
- Name En
- Pubchem Id
- 102376769
- Smiles Canonical
- CC1=C(C(CC(C1O)O)(C)C)C=CC(C)OC2C(C(C(C(O2)CO)O)O)OC3C(C(CO3)(CO)O)O
- Molecular Formula
- C24H40O12
- Molecular Weight
- 520.5720
- Inchikey
- UVNWUTOIBBOFBU-ZQOGFMHLSA-N
- Inchi
- InChI=1S/C24H40O12/c1-11(5-6-13-12(2)16(28)14(27)7-23(13,3)4)34-21-19(18(30)17(29)15(8-25)35-21)36-22-20(31)24(32,9-26)10-33-22/h5-6,11,14-22,25-32H,7-10H2,1-4H3/b6-5+/t11-,14+,15-,16-,17-,18+,19-,20+,21-,22+,24-/m1/s1
- Isomeric Smiles
- CC1=C(C(C[C@@H]([C@@H]1O)O)(C)C)/C=C/[C@@H](C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@](CO3)(CO)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.3193
- Num H Donors
- 8
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.1700
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ebracteatoside A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ebracteatoside a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ebracteatoside a
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
HBIN024765
Tcmid
6662
Pub Chem
102376769
Tcmbank
TCMBANKIN044340
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H40O12/c1-11(5-6-13-12(2)16(28)14(27)7-23(13,3)4)34-21-19(18(30)17(29)15(8-25)35-21)36-22-20(31)24(32,9-26)10-33-22/h5-6,11,14-22,25-32H,7-10H2,1-4H3/b6-5+/t11-,14+,15-,16-,17-,18+,19-,20+,21-,22+,24-/m1/s1
Mol Wt
520.5720000000002
Mol Log P
-2.319299999999995
In Ch Ikey
UVNWUTOIBBOFBU-ZQOGFMHLSA-N
Tcm Name
小花老鼠簕
Tcm Name2
XIAO HUA LAO SHU LE
Mol2 Path
/TCM_database/2007_3d_all/06663.mol2
Reference
5211
Num Hdonors
8
Drug Likeness
0.17
Num Hacceptors
12
Isomeric Smiles
CC1=C(C(C[C@@H]([C@@H]1O)O)(C)C)/C=C/[C@@H](C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@](CO3)(CO)O)O
Canonical Smiles
CC1=C(C(CC(C1O)O)(C)C)C=CC(C)OC2C(C(C(C(O2)CO)O)O)OC3C(C(CO3)(CO)O)O
Molecular Weight
520.6 g/mol
Molecular Formula
C24H40O12
Num Rotatable Bonds
8