Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21120
- Core Entity Id
- 26662
- Source Entity Count
- 1
- Preferred Name
- Hedyoside
- Name En
- Pubchem Id
- 24893886
- Smiles Canonical
- CC1(OCC2C(O1)CC3C2C(OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)C
- Molecular Formula
- C20H30O11
- Molecular Weight
- 446.4490
- Inchikey
- YAIGDKVCMQAHRK-WLZQLHOFSA-N
- Inchi
- InChI=1S/C20H30O11/c1-20(2)28-7-10-11(31-20)4-8-9(17(25)26-3)6-27-18(13(8)10)30-19-16(24)15(23)14(22)12(5-21)29-19/h6,8,10-16,18-19,21-24H,4-5,7H2,1-3H3/t8?,10-,11-,12+,13?,14+,15-,16+,18?,19-/m0/s1
- Isomeric Smiles
- CC1(OC[C@H]2[C@@H](O1)CC3C2C(OC=C3C(=O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- -1.3801
- Num H Donors
- 4
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3780
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hedyoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hedyoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Hedyoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
hedyoside
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028913
Npass
NPC287839
Tcmid
9282
Pub Chem
24893886
Tcmbank
TCMBANKIN017645
Etcm Ingredient
Hedyoside
Itcmdb Generated
ITX-INGREDIENT-1D60E0B85CFE
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H30O11/c1-20(2)28-7-10-11(31-20)4-8-9(17(25)26-3)6-27-18(13(8)10)30-19-16(24)15(23)14(22)12(5-21)29-19/h6,8,10-16,18-19,21-24H,4-5,7H2,1-3H3/t8?,10-,11-,12+,13?,14+,15-,16+,18?,19-/m0/s1
Mol Wt
446.4490000000001
Smiles
CC1(OCC2C(O1)CC3C2C(OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)C
Mol Log P
-1.380099999999997
In Ch Ikey
YAIGDKVCMQAHRK-WLZQLHOFSA-N
Num Hdonors
4
Drug Likeness
0.378
Num Hacceptors
11
Isomeric Smiles
CC1(OC[C@H]2[C@@H](O1)CC3C2C(OC=C3C(=O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C
Canonical Smiles
CC1(OCC2C(O1)CC3C2C(OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)C
Molecular Weight
446.180
Molecular Formula
C20H30O11
Molecular Formula
C20H30O11
Molecular Formula
C20H30O11
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.057
Quantitative Estimate Of Drug Likeness（Qed）
0.378