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
- 32624
- Core Entity Id
- 39453
- Source Entity Count
- 1
- Preferred Name
- Sargencuneside
- Name En
- Pubchem Id
- 5321130
- Smiles Canonical
- CC1=C(C=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC
- Molecular Formula
- C14H20O7
- Molecular Weight
- 300.3070
- Inchikey
- OVFYFAUQNYAGFX-RKQHYHRCSA-N
- Inchi
- InChI=1S/C14H20O7/c1-7-3-4-8(5-9(7)19-2)20-14-13(18)12(17)11(16)10(6-15)21-14/h3-5,10-18H,6H2,1-2H3/t10-,11-,12+,13-,14-/m1/s1
- Isomeric Smiles
- CC1=C(C=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC
- Cas Id
- Ob Score
- Mol Logp
- -0.8177
- Num H Donors
- 4
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.5750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sargencuneside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sargencuneside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sargencuneside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Sargencuneside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
sargencuneside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3-methoxy-4-methylphenoxy)oxane-3,4,5-triol
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NT08F
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3-methoxy-4-methylphenoxy)oxane-3,4,5-triolAC1NT08F
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043160
Npass
NPC118152
Tcmid
19351
Sym Map
SMIT17590
Pub Chem
5321130
Tcmbank
TCMBANKIN007874
Etcm Ingredient
Sargencuneside
Itcmdb Generated
ITX-INGREDIENT-14CD0650C6E4
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C14H20O7/c1-7-3-4-8(5-9(7)19-2)20-14-13(18)12(17)11(16)10(6-15)21-14/h3-5,10-18H,6H2,1-2H3/t10-,11-,12+,13-,14-/m1/s1
Mol Wt
300.307
Smiles
CC1=C(C=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC
Mol Log P
-0.8176800000000006
Version
v1,v2
In Ch Ikey
OVFYFAUQNYAGFX-RKQHYHRCSA-N
Suppress
0
Num Hdonors
4
Drug Likeness
0.575
Num Hacceptors
7
Isomeric Smiles
CC1=C(C=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC
Canonical Smiles
CC1=C(C=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC
Molecular Weight
300.120
Molecular Formula
C14H20O7
Molecular Formula
C14H20O7
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.008
Quantitative Estimate Of Drug Likeness（Qed）
0.575