Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 49527
- Core Entity Id
- 92538
- Source Entity Count
- 1
- Preferred Name
- floralginsenoside P
- Name En
- Pubchem Id
- 162947480
- Smiles Canonical
- CC(C)=CCC[C@](C)(O[C@H]1O[C@H](CO[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@H]3CC[C@]12C
- Molecular Formula
- C53H90O22
- Molecular Weight
- 1079.0000
- Inchikey
- NODILNFGTFIURN-NEKGNZSFSA-N
- Inchi
- InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26-,27+,28+,29+,30+,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48+,50-,51+,52+,53-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -1.0000
- Num H Donors
- 14
- Num H Acceptors
- 22
- Num Rotatable Bonds
- 15
- Drug Likeness
- Polar Surface Area
- 357.0000
- Molecular Volume
- 728.0000
- Alogp
- -1.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
floralginsenoside P
Role
preferred
Source
TCMBank
Preferred
Yes
Name
floralginsenoside P
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
人蔘
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Panax ginseng
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
13.补虚药(60-62)
Role
level1_name
Source
TCMBank
Preferred
No
Name
tonifying and replenishing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.补气药(15-15)
Role
level2_name
Source
TCMBank
Preferred
No
Name
qi-tonifying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
人蔘Panax ginseng13.补虚药(60-62)tonifying and replenishing medicinal1.补气药(15-15)qi-tonifying medicinal
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN031877
Etcm Ingredient
floralginsenoside P
Itcmdb Generated
ITX-INGREDIENT-0F48454044FCITX-INGREDIENT-CB32DE4676F3
Attributes
Merged source attributes and domain-specific metadata.
Alog P
-1
Smiles
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@](O[C@@]2([H])O[C@]([H])(C([H])([H])O[C@@]([H])(OC([H])([H])[C@]3([H])O[H])[C@]([H])(O[H])[C@@
]3([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])(C([H])([H])[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C([H])([H])C4([H])[H])[C@@]45C([H])([H])[H])[C@@]5(C([H])([H]
)[H])C([H])([H])C6([H])[H])[C@@]6([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[C@@]7([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]7([H])O[C@@]8([H])O[C@]([H])(C([H])([H])O[H
])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]8([H])O[H]
37 Flag
37
C Count
53
N Count
0
O Count
22
P Count
0
S Count
0
Tcm Name
人蔘
Mol2 Path
/TCM_database/13.补虚药(60-62)/1.补气药(15-15)/人蔘/3D/floralginsenoside P.mol2
Tcm Name En
Panax ginseng
Level1 Name
13.补虚药(60-62)
Level2 Name
1.补气药(15-15)
Num H Donors
14
Level1 Name En
tonifying and replenishing medicinal
Level2 Name En
qi-tonifying medicinal
Num H Acceptors
22
Molecular Weight
1078.590
Molecular Volume
728
Molecular Weight
1079
Molecular Formula
C53H90O22
Molecular Formula
C53H90O22
Num Rotatable Bonds
15
Molecular Polar Surface Area
357
Fda Maximum Daily Dose (Fdamdd)
0.003
Quantitative Estimate Of Drug Likeness（Qed）
0.065