Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20279
- Core Entity Id
- 25721
- Source Entity Count
- 1
- Preferred Name
- Glaocogenin cmono-d-thevetoside
- Name En
- Pubchem Id
- 44584779
- Smiles Canonical
- CC1C(C(C(C(O1)OC2CCC3(C4CCC5=COC6(C5C(CO6)OC(=O)C4CC=C3C2)C)C)O)OC)O
- Molecular Formula
- C28H40O9
- Molecular Weight
- 520.6190
- Inchikey
- KBZJWPGSJWUHPT-DSFNJXJWSA-N
- Inchi
- InChI=1S/C28H40O9/c1-14-22(29)24(32-4)23(30)26(35-14)36-17-9-10-27(2)16(11-17)6-7-18-19(27)8-5-15-12-33-28(3)21(15)20(13-34-28)37-25(18)31/h6,12,14,17-24,26,29-30H,5,7-11,13H2,1-4H3/t14-,17+,18+,19+,20-,21-,22-,23-,24+,26+,27+,28+/m1/s1
- Isomeric Smiles
- C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CCC5=CO[C@@]6([C@H]5[C@@H](CO6)OC(=O)[C@H]4CC=C3C2)C)C)O)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 2.5882
- Num H Donors
- 2
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.4280
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glaocogenin C mono-D-thevetoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Glaocogenin Cmono-D-Thevetoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Glaocogenin cmono-d-thevetoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Glaocogenin cmono-d-thevetoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
glaocogenin cmono-d-thevetoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
CHEMBL507772
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL507772
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Glaocogenin C mono-D-thevetosideCHEMBL507772
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027867
Npass
NPC127153
Tcmid
8506
Sym Map
SMIT15597
Pub Chem
44584779
Tcmbank
TCMBANKIN018146
Etcm Ingredient
Glaocogenin C mono-D-thevetoside
Itcmdb Generated
ITX-INGREDIENT-772698AA74DE
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C28H40O9/c1-14-22(29)24(32-4)23(30)26(35-14)36-17-9-10-27(2)16(11-17)6-7-18-19(27)8-5-15-12-33-28(3)21(15)20(13-34-28)37-25(18)31/h6,12,14,17-24,26,29-30H,5,7-11,13H2,1-4H3/t14-,17+,18+,19+,20-,21-,22-,23-,24+,26+,27+,28+/m1/s1
Mol Wt
520.6190000000004
Smiles
CC1C(C(C(C(O1)OC2CCC3(C4CCC5=COC6(C5C(CO6)OC(=O)C4CC=C3C2)C)C)O)OC)O
Mol Log P
2.588200000000001
Version
v1,v2
In Ch Ikey
KBZJWPGSJWUHPT-DSFNJXJWSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.428
Num Hacceptors
9
Isomeric Smiles
C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CCC5=CO[C@@]6([C@H]5[C@@H](CO6)OC(=O)[C@H]4CC=C3C2)C)C)O)OC)O
Canonical Smiles
CC1C(C(C(C(O1)OC2CCC3(C4CCC5=COC6(C5C(CO6)OC(=O)C4CC=C3C2)C)C)O)OC)O
Herb Alias Names
CHEMBL507772
Molecular Weight
520.270
Molecule Formula
C28H40O9
Molecular Formula
C28H40O9
Molecular Formula
C28H40O9
Molecular Formula
C28H40O9
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.875
Quantitative Estimate Of Drug Likeness（Qed）
0.428