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
- 30633
- Core Entity Id
- 37231
- Source Entity Count
- 1
- Preferred Name
- Proampeloside bf2
- Name En
- Pubchem Id
- 6325838
- Smiles Canonical
- CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)C)O)C)C)OC1
- Molecular Formula
- C39H64O15
- Molecular Weight
- 772.9260
- Inchikey
- DQLBLHWGFPEMQR-GUNHAYMDSA-N
- Inchi
- InChI=1S/C39H64O15/c1-16-5-8-39(49-15-16)17(2)28-25(54-39)10-20-18-9-22(42)21-11-24(23(43)12-38(21,4)19(18)6-7-37(20,28)3)50-35-33(48)31(46)34(27(14-41)52-35)53-36-32(47)30(45)29(44)26(13-40)51-36/h16-36,40-48H,5-15H2,1-4H3/t16-,17+,18?,19?,20?,21-,22-,23-,24-,25?,26-,27-,28?,29+,30+,31-,32-,33-,34-,35-,36-,37+,38-,39?/m1/s1
- Isomeric Smiles
- C[C@@H]1CCC2([C@H](C3C(O2)CC4[C@@]3(CCC5C4C[C@H]([C@@H]6[C@@]5(C[C@H]([C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)O)C)O)C)C)OC1
- Cas Id
- Ob Score
- Mol Logp
- -0.6162
- Num H Donors
- 9
- Num H Acceptors
- 15
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.1530
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Proampeloside Bf2
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Proampeloside bf2
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Proampeloside bf2
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
大头蒜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DA TOU SUAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Wild Leek
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
大头蒜DA TOU SUANWild Leek
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040740
Npass
NPC18345
Tcmid
17851
Pub Chem
6325838
Tcmbank
TCMBANKIN046331
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C39H64O15/c1-16-5-8-39(49-15-16)17(2)28-25(54-39)10-20-18-9-22(42)21-11-24(23(43)12-38(21,4)19(18)6-7-37(20,28)3)50-35-33(48)31(46)34(27(14-41)52-35)53-36-32(47)30(45)29(44)26(13-40)51-36/h16-36,40-48H,5-15H2,1-4H3/t16-,17+,18?,19?,20?,21-,22-,23-,24-,25?,26-,27-,28?,29+,30+,31-,32-,33-,34-,35-,36-,37+,38-,39?/m1/s1
Mol Wt
772.9260000000006
Mol Log P
-0.6161999999999939
In Ch Ikey
DQLBLHWGFPEMQR-GUNHAYMDSA-N
Tcm Name
大头蒜
Tcm Name2
DA TOU SUAN
Mol2 Path
/TCM_database/2007_3d_all/17865.mol2
Reference
2165
Num Hdonors
9
Tcm Name En
Wild Leek
Drug Likeness
0.153
Num Hacceptors
15
Isomeric Smiles
C[C@@H]1CCC2([C@H](C3C(O2)CC4[C@@]3(CCC5C4C[C@H]([C@@H]6[C@@]5(C[C@H]([C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)O)C)O)C)C)OC1
Canonical Smiles
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)C)O)C)C)OC1
Molecular Formula
C39H64O15
Num Rotatable Bonds
6