Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 10Ingredient: 1Target: 2Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16342
- Core Entity Id
- 21335
- Source Entity Count
- 1
- Preferred Name
- Verbasoside
- Name En
- Pubchem Id
- 11754080
- Smiles Canonical
- CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)CO)O)O)O)O
- Molecular Formula
- C20H30O12
- Molecular Weight
- 462.4480
- Inchikey
- DORPKYRPJIIARM-GYAWPQPFSA-N
- Inchi
- InChI=1S/C20H30O12/c1-8-13(24)15(26)16(27)20(30-8)32-18-14(25)12(7-21)31-19(17(18)28)29-5-4-9-2-3-10(22)11(23)6-9/h2-3,6,8,12-28H,4-5,7H2,1H3/t8-,12+,13-,14+,15+,16+,17+,18-,19+,20-/m0/s1
- Isomeric Smiles
- C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)OCCC3=CC(=C(C=C3)O)O)CO)O)O)O)O
- Cas Id
- 61548-34-3
- Ob Score
- 6.3348
- Mol Logp
- -2.6914
- Num H Donors
- 8
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.1960
- Polar Surface Area
- 199.0000
- Molecular Volume
- 293.0000
- Alogp
- -2.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Decaffeoylacteoside
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Decaffeoylacteoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Decaffeoylacteoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Decaffeoylacteoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Decaffeoylacteoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Verbasoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Verbasoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
decaffeoylacteoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
verbasoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
verbasoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
甜舌草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TIAN SHE CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sweet-tongue Lippia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3,4-dihydroxyphenyl)-ethyl 3-O-(alpha-l-rhamnopyranosyl)-beta-d-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3,4-dihydroxyphenyl)-ethyl 3-O-(alpha-l-rhamnopyranosyl)-beta-d-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
61548-34-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
61548-34-3
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1779146
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1779146
Role
alias
Source
HERB_v2
Preferred
No
Name
Decaffeoyl acteoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Decaffeoylacteoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Decaffeoylverbascoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Decaffeoylverbascoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
MEGxp0_001336
Role
alias
Source
itcmdb_public
Preferred
No
Name
MEGxp0_001336
Role
alias
Source
HERB_v2
Preferred
No
Name
Verbasoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Verbasoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
decaffeoy lacteoside
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Decaffeoylacteoside甜舌草TIAN SHE CAOSweet-tongue Lippia*(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol2-(3,4-dihydroxyphenyl)-ethyl 3-O-(alpha-l-rhamnopyranosyl)-beta-d-glucopyranoside61548-34-3CHEMBL1779146Decaffeoyl acteosideDecaffeoylverbascosideMEGxp0_001336beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-decaffeoy lacteoside
Cross References
Trusted external identifiers retained for this final record.
Cas
61548-34-3
Herb
HBIN022888HBIN047822
Npass
NPC258320NPC282105
Tcmid
382984829
Tcmsp
MOL000156
Sym Map
SMIT00390
Tcm Id
212
Pub Chem
1175408013889681
Tcmbank
TCMBANKIN020943TCMBANKIN037559
Etcm Ingredient
decaffeoylacteosideverbasoside
Itcmdb Generated
ITX-INGREDIENT-4652D83E17AFITX-INGREDIENT-F401DC2278A5
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
-2
In Ch I
InChI=1S/C20H30O12/c1-8-13(24)15(26)16(27)20(30-8)32-18-14(25)12(7-21)31-19(17(18)28)29-5-4-9-2-3-10(22)11(23)6-9/h2-3,6,8,12-28H,4-5,7H2,1H3/t8-,12+,13-,14+,15+,16+,17+,18-,19+,20-/m0/s1
Mol Wt
462.4480000000001
Smiles
CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)CO)O)O)O)O
37 Flag
37
C Count
20
Mol Log P
-2.691399999999998
N Count
0
O Count
12
P Count
0
S Count
0
Version
v1,v2
In Ch Ikey
DORPKYRPJIIARM-GYAWPQPFSA-N
Ob Score
6.3347726.3347721686.335
Suppress
0
Tcm Name
甜舌草
Tcm Name2
TIAN SHE CAO
Mol2 Path
/TCM_database/2007_3d_all/04830.mol2
Reference
2448, 4508
Num Hdonors
8
Tcm Name En
Sweet-tongue Lippia*
Num H Donors
8
Drug Likeness
0.196
Num Hacceptors
12
Isomeric Smiles
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)OCCC3=CC(=C(C=C3)O)O)CO)O)O)O)O
Molecule Weight
462.5
Num H Acceptors
12
Canonical Smiles
CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)CO)O)O)O)O
Herb Alias Names
Verbasoside61548-34-3Decaffeoylverbascoside(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triolbeta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-2-(3,4-dihydroxyphenyl)-ethyl 3-O-(alpha-l-rhamnopyranosyl)-beta-d-glucopyranosideDecaffeoyl acteosideMEGxp0_001336CHEMBL1779146
Molecular Weight
462.170
Molecular Volume
293
Molecular Weight
462.4 g/mol462.45
Molecule Formula
C20H30O12
Molecular Formula
C20H30O12
Molecular Formula
C20H30O12
Molecular Formula
C20H30O12
Num Rotatable Bonds
7
Num Rotatable Bonds
7
Molecular Polar Surface Area
199
Fda Maximum Daily Dose (Fdamdd)
0.0010.002
Quantitative Estimate Of Drug Likeness（Qed）
0.196