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
- 33643
- Core Entity Id
- 40589
- Source Entity Count
- 1
- Preferred Name
- Soulieoside c
- Name En
- Pubchem Id
- 101345680
- Smiles Canonical
- CC1C2C(CC3(C2(CCC45C3CCC6C4(C5)CCC(C6(C)C)OC7C(C(C(CO7)OC(=O)C)O)O)C)C)OC8(C1OC(C8O)(C)C)O
- Molecular Formula
- C37H58O10
- Molecular Weight
- 662.8610
- Inchikey
- YRPYTXUCVFTUJD-LTPQNBKYSA-N
- Inchi
- InChI=1S/C37H58O10/c1-18-25-20(46-37(42)28(18)47-32(5,6)30(37)41)15-34(8)23-10-9-22-31(3,4)24(11-12-35(22)17-36(23,35)14-13-33(25,34)7)45-29-27(40)26(39)21(16-43-29)44-19(2)38/h18,20-30,39-42H,9-17H2,1-8H3/t18-,20-,21+,22-,23-,24-,25-,26-,27+,28+,29-,30+,33+,34-,35+,36-,37+/m0/s1
- Isomeric Smiles
- C[C@H]1[C@H]2[C@H](C[C@@]3([C@@]2(CC[C@]45[C@H]3CC[C@@H]6[C@]4(C5)CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@@H](CO7)OC(=O)C)O)O)C)C)O[C@@]8([C@@H]1OC([C@H]8O)(C)C)O
- Cas Id
- Ob Score
- Mol Logp
- 3.6922
- Num H Donors
- 4
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.2610
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Soulieoside C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Soulieoside c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Soulieoside c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
黄山奇
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUANG SAN QI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Souliea
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
黄山奇HUANG SAN QICommon Souliea
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044414
Npass
NPC217762
Tcmid
20096
Pub Chem
101345680
Tcmbank
TCMBANKIN043411
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C37H58O10/c1-18-25-20(46-37(42)28(18)47-32(5,6)30(37)41)15-34(8)23-10-9-22-31(3,4)24(11-12-35(22)17-36(23,35)14-13-33(25,34)7)45-29-27(40)26(39)21(16-43-29)44-19(2)38/h18,20-30,39-42H,9-17H2,1-8H3/t18-,20-,21+,22-,23-,24-,25-,26-,27+,28+,29-,30+,33+,34-,35+,36-,37+/m0/s1
Mol Wt
662.8610000000003
Mol Log P
3.692200000000004
In Ch Ikey
YRPYTXUCVFTUJD-LTPQNBKYSA-N
Tcm Name
黄山奇
Tcm Name2
HUANG SAN QI
Mol2 Path
/TCM_database/2007_3d_all/20112.mol2
Reference
4291
Num Hdonors
4
Tcm Name En
Common Souliea
Drug Likeness
0.261
Num Hacceptors
10
Isomeric Smiles
C[C@H]1[C@H]2[C@H](C[C@@]3([C@@]2(CC[C@]45[C@H]3CC[C@@H]6[C@]4(C5)CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@@H](CO7)OC(=O)C)O)O)C)C)O[C@@]8([C@@H]1OC([C@H]8O)(C)C)O
Canonical Smiles
CC1C2C(CC3(C2(CCC45C3CCC6C4(C5)CCC(C6(C)C)OC7C(C(C(CO7)OC(=O)C)O)O)C)C)OC8(C1OC(C8O)(C)C)O
Molecular Weight
662.8 g/mol
Molecular Formula
C37H58O10
Num Rotatable Bonds
3