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
- 25196
- Core Entity Id
- 31198
- Source Entity Count
- 1
- Preferred Name
- Lycogalinoside b
- Name En
- Pubchem Id
- 101260708
- Smiles Canonical
- CCCC(C)C(C(C)C(=O)C(C)C=C(C)C=CCC(C)C=CC1CC=CC(=O)O1)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)O)O)O
- Molecular Formula
- C38H60O11
- Molecular Weight
- 692.8870
- Inchikey
- NNIKSBGUOULFOA-QSZIIDAQSA-N
- Inchi
- InChI=1S/C38H60O11/c1-9-12-23(4)36(49-38-35(44)34(43)37(27(8)46-38)48-31-20-29(39)33(42)26(7)45-31)25(6)32(41)24(5)19-22(3)14-10-13-21(2)17-18-28-15-11-16-30(40)47-28/h10-11,14,16-19,21,23-29,31,33-39,42-44H,9,12-13,15,20H2,1-8H3/b14-10+,18-17+,22-19+/t21-,23-,24+,25+,26+,27+,28+,29+,31-,33+,34+,35+,36+,37-,38-/m0/s1
- Isomeric Smiles
- CCC[C@H](C)[C@H]([C@H](C)C(=O)[C@H](C)/C=C(\C)/C=C/C[C@H](C)/C=C/[C@H]1CC=CC(=O)O1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)C)O[C@H]3C[C@H]([C@@H]([C@H](O3)C)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 4.3142
- Num H Donors
- 4
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 16
- Drug Likeness
- 0.1040
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lycogalinoside B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lycogalinoside b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lycogalinoside b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
粉瘤菌
Role
TCM_name
Source
TCMBank
Preferred
No
Name
FEN LIU JUN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Wolfs-milk Slime
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Q57281678
Role
alias
Source
HERB_v2
Preferred
No
Name
Q57281678
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
粉瘤菌FEN LIU JUNWolfs-milk SlimeQ57281678
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033945
Npass
NPC42799
Tcmid
13189
Pub Chem
101260708
Tcmbank
TCMBANKIN042690
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C38H60O11/c1-9-12-23(4)36(49-38-35(44)34(43)37(27(8)46-38)48-31-20-29(39)33(42)26(7)45-31)25(6)32(41)24(5)19-22(3)14-10-13-21(2)17-18-28-15-11-16-30(40)47-28/h10-11,14,16-19,21,23-29,31,33-39,42-44H,9,12-13,15,20H2,1-8H3/b14-10+,18-17+,22-19+/t21-,23-,24+,25+,26+,27+,28+,29+,31-,33+,34+,35+,36+,37-,38-/m0/s1
Mol Wt
692.8870000000004
Mol Log P
4.314200000000008
In Ch Ikey
NNIKSBGUOULFOA-QSZIIDAQSA-N
Tcm Name
粉瘤菌
Tcm Name2
FEN LIU JUN
Mol2 Path
/TCM_database/2007_3d_all/13196.mol2
Reference
3427
Num Hdonors
4
Tcm Name En
Wolfs-milk Slime
Drug Likeness
0.104
Num Hacceptors
11
Isomeric Smiles
CCC[C@H](C)[C@H]([C@H](C)C(=O)[C@H](C)/C=C(\C)/C=C/C[C@H](C)/C=C/[C@H]1CC=CC(=O)O1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)C)O[C@H]3C[C@H]([C@@H]([C@H](O3)C)O)O)O)O
Canonical Smiles
CCCC(C)C(C(C)C(=O)C(C)C=C(C)C=CCC(C)C=CC1CC=CC(=O)O1)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)O)O)O
Herb Alias Names
Q57281678
Molecular Weight
692.9 g/mol
Molecular Formula
C38H60O11
Num Rotatable Bonds
16