ITCMDBv1
IngredientID 30967

Ptelatoside c

C19H26O10

Back to Browse

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
30967
Core Entity Id
37603
Source Entity Count
1
Preferred Name
Ptelatoside c
Name En
Pubchem Id
179108
Smiles Canonical
C=CC1=CC=C(C=C1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O
Molecular Formula
C19H26O10
Molecular Weight
414.4070
Inchikey
DZMYOBBWRZTUTA-SJCJKJIISA-N
Inchi
InChI=1S/C19H26O10/c1-2-9-3-5-10(6-4-9)28-19-17(25)15(23)14(22)12(29-19)8-27-18-16(24)13(21)11(20)7-26-18/h2-6,11-25H,1,7-8H2/t11-,12+,13-,14+,15-,16+,17+,18-,19-/m0/s1
Isomeric Smiles
C=CC1=CC=C(C=C1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@H](CO3)O)O)O)O)O)O
Cas Id
Ob Score
Mol Logp
-2.0284
Num H Donors
6
Num H Acceptors
10
Num Rotatable Bonds
6
Drug Likeness
0.3070
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Ptelatoside C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ptelatoside C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ptelatoside c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ptelatoside c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
欧洲蕨
Role
TCM_name
Source
TCMBank
Preferred
No
Name
OU ZHOU JUE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Bracken
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2R,3R,4S,5S,6R)-2-(4-ethenylphenoxy)-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3R,4S,5S,6R)-2-(4-ethenylphenoxy)-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Ethenylphenyl 6-O-pentopyranosylhexopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Ethenylphenyl 6-O-pentopyranosylhexopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
98755-18-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
98755-18-1
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90913094
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90913094
Role
alias
Source
HERB_v2
Preferred
No
Name
Ptelatoside-C
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ptelatoside-C
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-D-Glucopyranoside, 4-ethenylphenyl 6-O-alpha-L-rabinopyranosyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-D-Glucopyranoside, 4-ethenylphenyl 6-O-alpha-L-rabinopyranosyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ptelatoside A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ptelatoside a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
ptelatoside a
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-(4-ethenylphenoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
90899-20-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:172655
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

欧洲蕨OU ZHOU JUEBracken(2R,3R,4S,5S,6R)-2-(4-ethenylphenoxy)-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol4-Ethenylphenyl 6-O-pentopyranosylhexopyranoside98755-18-1DTXSID90913094Ptelatoside-Cbeta-D-Glucopyranoside, 4-ethenylphenyl 6-O-alpha-L-rabinopyranosyl-Ptelatoside A2-(4-ethenylphenoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol90899-20-0CHEBI:172655

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN041150HBIN041148
Tcmid
1808718085
Pub Chem
17910813964506
Tcmbank
TCMBANKIN044186TCMBANKIN046292
Etcm Ingredient
Ptelatoside CPtelatoside A
Itcmdb Generated
ITX-INGREDIENT-0C7AF2DE5DECITX-INGREDIENT-D3D3682C47F0

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C19H26O10/c1-2-9-3-5-10(6-4-9)28-19-17(25)15(23)14(22)12(29-19)8-27-18-16(24)13(21)11(20)7-26-18/h2-6,11-25H,1,7-8H2/t11-,12+,13-,14+,15-,16+,17+,18-,19-/m0/s1
Mol Wt
414.4070000000001
Smiles
C=CC1=CC=C(C=C1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O
Mol Log P
-2.028399999999999
In Ch Ikey
DZMYOBBWRZTUTA-SJCJKJIISA-N
Tcm Name
欧洲蕨
Tcm Name2
OU ZHOU JUE
Mol2 Path
/TCM_database/2007_3d_all/18101.mol2
Reference
3557, 3556
Num Hdonors
6
Tcm Name En
Bracken
Drug Likeness
0.307
Num Hacceptors
10
Isomeric Smiles
C=CC1=CC=C(C=C1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@H](CO3)O)O)O)O)O)O
Canonical Smiles
C=CC1=CC=C(C=C1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O
Herb Alias Names
Ptelatoside-C98755-18-1beta-D-Glucopyranoside, 4-ethenylphenyl 6-O-alpha-L-rabinopyranosyl-(2R,3R,4S,5S,6R)-2-(4-ethenylphenoxy)-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol(2R,3R,4S,5S,6R)-2-(4-ethenylphenoxy)-6-(((2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl)oxymethyl)oxane-3,4,5-triolDTXSID909130944-Ethenylphenyl 6-O-pentopyranosylhexopyranoside
Molecular Weight
414.150
Molecular Weight
414.4 g/mol
Molecular Formula
C19H26O10
Molecular Formula
C19H26O10
Molecular Formula
C19H26O10
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.004
Quantitative Estimate Of Drug Likeness（Qed）
0.307