Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12209
- Core Entity Id
- 16738
- Source Entity Count
- 1
- Preferred Name
- Benzoylsalireposide
- Name En
- Pubchem Id
- 10369077
- Smiles Canonical
- C1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)O)OC3C(C(C(C(O3)CO)O)OC(=O)C4=CC=CC=C4)O
- Molecular Formula
- C27H26O10
- Molecular Weight
- 510.4950
- Inchikey
- FUEPBIYTRMHZFE-CWOLTGNZSA-N
- Inchi
- InChI=1S/C27H26O10/c28-14-21-22(30)24(37-26(33)17-9-5-2-6-10-17)23(31)27(36-21)35-20-12-11-19(29)13-18(20)15-34-25(32)16-7-3-1-4-8-16/h1-13,21-24,27-31H,14-15H2/t21-,22-,23-,24+,27-/m1/s1
- Isomeric Smiles
- C1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)OC(=O)C4=CC=CC=C4)O
- Cas Id
- Ob Score
- Mol Logp
- 1.7926
- Num H Donors
- 4
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.3300
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Benzoylsalireposide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Benzoylsalireposide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Benzoylsalireposide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
珠仔树
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZHU ZI SHU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Racemose Sweetleaf
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2-((2S,3R,4S,5R,6R)-4-benzoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-5-hydroxyphenyl)methyl benzoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
[2-[(2S,3R,4S,5R,6R)-4-benzoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxyphenyl]methyl benzoate
Role
alias
Source
HERB_v2
Preferred
No
Name
benzoylsalireposide
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
珠仔树ZHU ZI SHURacemose Sweetleaf(2-((2S,3R,4S,5R,6R)-4-benzoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-5-hydroxyphenyl)methyl benzoate[2-[(2S,3R,4S,5R,6R)-4-benzoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxyphenyl]methyl benzoate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN017831
Npass
NPC240811
Tcmid
2270
Tcm Id
1017710178
Pub Chem
10369077
Tcmbank
TCMBANKIN049915
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C27H26O10/c28-14-21-22(30)24(37-26(33)17-9-5-2-6-10-17)23(31)27(36-21)35-20-12-11-19(29)13-18(20)15-34-25(32)16-7-3-1-4-8-16/h1-13,21-24,27-31H,14-15H2/t21-,22-,23-,24+,27-/m1/s1
Mol Wt
510.4950000000002
Mol Log P
1.7926
In Ch Ikey
FUEPBIYTRMHZFE-CWOLTGNZSA-N
Tcm Name
珠仔树
Tcm Name2
ZHU ZI SHU
Mol2 Path
/TCM_database/2007_3d_all/02270.mol2
Reference
3374, 4093
Num Hdonors
4
Tcm Name En
Racemose Sweetleaf
Drug Likeness
0.33
Num Hacceptors
10
Isomeric Smiles
C1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)OC(=O)C4=CC=CC=C4)O
Canonical Smiles
C1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)O)OC3C(C(C(C(O3)CO)O)OC(=O)C4=CC=CC=C4)O
Herb Alias Names
[2-[(2S,3R,4S,5R,6R)-4-benzoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxyphenyl]methyl benzoate(2-((2S,3R,4S,5R,6R)-4-benzoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-5-hydroxyphenyl)methyl benzoate
Molecular Weight
510.5 g/mol
Molecular Formula
C27H26O10
Num Rotatable Bonds
8