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
- 20229
- Core Entity Id
- 25666
- Source Entity Count
- 1
- Preferred Name
- Glabcensin b
- Name En
- Pubchem Id
- 10768650
- Smiles Canonical
- CC(=O)OC1CC2CC3(C1C4(CC(C(C(C4C(C3OC(=O)C)OC(=O)C)(C)C)O)OC(=O)C)C)C(=O)C2=C
- Molecular Formula
- C28H38O10
- Molecular Weight
- 534.6020
- Inchikey
- WTKLXJQSMIPUJJ-VNVGTTLISA-N
- Inchi
- InChI=1S/C28H38O10/c1-12-17-9-18(35-13(2)29)21-27(8)11-19(36-14(3)30)24(34)26(6,7)22(27)20(37-15(4)31)25(38-16(5)32)28(21,10-17)23(12)33/h17-22,24-25,34H,1,9-11H2,2-8H3/t17-,18+,19+,20-,21+,22-,24+,25+,27+,28+/m1/s1
- Isomeric Smiles
- CC(=O)O[C@H]1C[C@@H]2C[C@]3([C@@H]1[C@@]4(C[C@@H]([C@@H](C([C@H]4[C@H]([C@@H]3OC(=O)C)OC(=O)C)(C)C)O)OC(=O)C)C)C(=O)C2=C
- Cas Id
- Ob Score
- Mol Logp
- 2.2916
- Num H Donors
- 1
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3240
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glabcensin B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Glabcensin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Glabcensin b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
毛梗狭叶香茶菜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MAO GENG XIA YE XIANG CHA CAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Hairstalk Narrowleaf Rabdosia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
毛梗狭叶香茶菜MAO GENG XIA YE XIANG CHA CAIHairstalk Narrowleaf Rabdosia*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027818
Tcmid
8462
Pub Chem
10768650
Tcmbank
TCMBANKIN049938
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H38O10/c1-12-17-9-18(35-13(2)29)21-27(8)11-19(36-14(3)30)24(34)26(6,7)22(27)20(37-15(4)31)25(38-16(5)32)28(21,10-17)23(12)33/h17-22,24-25,34H,1,9-11H2,2-8H3/t17-,18+,19+,20-,21+,22-,24+,25+,27+,28+/m1/s1
Mol Wt
534.6020000000003
Mol Log P
2.291599999999999
In Ch Ikey
WTKLXJQSMIPUJJ-VNVGTTLISA-N
Tcm Name
毛梗狭叶香茶菜
Tcm Name2
MAO GENG XIA YE XIANG CHA CAI
Mol2 Path
/TCM_database/2007_3d_all/08463.mol2
Reference
4067
Num Hdonors
1
Tcm Name En
Hairstalk Narrowleaf Rabdosia*
Drug Likeness
0.324
Num Hacceptors
10
Isomeric Smiles
CC(=O)O[C@H]1C[C@@H]2C[C@]3([C@@H]1[C@@]4(C[C@@H]([C@@H](C([C@H]4[C@H]([C@@H]3OC(=O)C)OC(=O)C)(C)C)O)OC(=O)C)C)C(=O)C2=C
Canonical Smiles
CC(=O)OC1CC2CC3(C1C4(CC(C(C(C4C(C3OC(=O)C)OC(=O)C)(C)C)O)OC(=O)C)C)C(=O)C2=C
Molecular Weight
534.6 g/mol
Molecular Formula
C28H38O10
Num Rotatable Bonds
4