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
- 7827
- Core Entity Id
- 11874
- Source Entity Count
- 1
- Preferred Name
- 6'-o-alpha-d-galactopyranosylsyringopicroside
- Name En
- Pubchem Id
- 11039588
- Smiles Canonical
- CC1C2C(CC1=O)C(=COC2OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O)C(=O)OCCC5=CC=C(C=C5)O
- Molecular Formula
- C30H40O16
- Molecular Weight
- 656.6340
- Inchikey
- QWZAGEWLUZBSJX-ZGKCRPRGSA-N
- Inchi
- InChI=1S/C30H40O16/c1-12-17(33)8-15-16(27(40)41-7-6-13-2-4-14(32)5-3-13)10-42-28(20(12)15)46-30-26(39)24(37)22(35)19(45-30)11-43-29-25(38)23(36)21(34)18(9-31)44-29/h2-5,10,12,15,18-26,28-32,34-39H,6-9,11H2,1H3/t12-,15+,18+,19+,20+,21-,22+,23-,24-,25+,26+,28-,29-,30-/m0/s1
- Isomeric Smiles
- C[C@@H]1[C@@H]2[C@H](CC1=O)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)C(=O)OCCC5=CC=C(C=C5)O
- Cas Id
- Ob Score
- Mol Logp
- -2.7999
- Num H Donors
- 8
- Num H Acceptors
- 16
- Num Rotatable Bonds
- 10
- Drug Likeness
- 0.1180
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6'-o-alpha-d-galactopyranosylsyringopicroside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6'-o-alpha-d-galactopyranosylsyringopicroside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6'-o-α-d-galactopyranosylsyringopicroside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
暴马子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BAO MA ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Amur Lilac
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
6'-o-α-d-galactopyranosylsyringopicroside暴马子BAO MA ZIAmur Lilac
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012618
Tcmid
8070
Pub Chem
11039588
Tcmbank
TCMBANKIN017229TCMBANKIN060347
Itcmdb Generated
ITX-INGREDIENT-8B6AE7F16DB5
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H40O16/c1-12-17(33)8-15-16(27(40)41-7-6-13-2-4-14(32)5-3-13)10-42-28(20(12)15)46-30-26(39)24(37)22(35)19(45-30)11-43-29-25(38)23(36)21(34)18(9-31)44-29/h2-5,10,12,15,18-26,28-32,34-39H,6-9,11H2,1H3/t12-,15+,18+,19+,20+,21-,22+,23-,24-,25+,26+,28-,29-,30-/m0/s1
Mol Wt
656.6340000000001
Smiles
CC1C2C(CC1=O)C(=COC2OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O)C(=O)OCCC5=CC=C(C=C5)O
Mol Log P
-2.799899999999991
In Ch Ikey
QWZAGEWLUZBSJX-ZGKCRPRGSA-N
Tcm Name
暴马子
Tcm Name2
BAO MA ZI
Mol2 Path
/TCM_database/2007_3d_all/08071.mol2
Reference
4363, 4723
Num Hdonors
8
Tcm Name En
Amur Lilac
Drug Likeness
0.118
Num Hacceptors
16
Isomeric Smiles
C[C@@H]1[C@@H]2[C@H](CC1=O)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)C(=O)OCCC5=CC=C(C=C5)O
Canonical Smiles
CC1C2C(CC1=O)C(=COC2OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O)C(=O)OCCC5=CC=C(C=C5)O
Molecular Formula
C30H40O16
Molecular Formula
C30H40O16
Num Rotatable Bonds
10