ITCMDBv1
IngredientID 14225

Ginsenoside ro

C48H76O19

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Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Herb: 12Ingredient: 1Target: 5Links: 17
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
14225
Core Entity Id
18979
Source Entity Count
1
Preferred Name
Ginsenoside ro
Name En
Pubchem Id
11815492
Smiles Canonical
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C
Molecular Formula
C48H76O19
Molecular Weight
957.1170
Inchikey
NFZYDZXHKFHPGA-QQHDHSITSA-N
Inchi
InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-35(58)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(33(56)32(55)36(65-41)38(59)60)66-39-34(57)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31-,32-,33-,34+,35+,36-,37+,39-,40-,41+,45-,46+,47+,48-/m0/s1
Isomeric Smiles
C[C@]12CC[C@@H](C(C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5(C4CC(CC5)(C)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C)C)(C)C)OC7C(C(C(C(O7)C(=O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O
Cas Id
34367-04-9
Ob Score
1.9812
Mol Logp
0.2328
Num H Donors
11
Num H Acceptors
18
Num Rotatable Bonds
9
Drug Likeness
0.0840
Polar Surface Area
312.0000
Molecular Volume
643.0000
Alogp
1.0000

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Chikusetsusaponin Ⅳa
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Ginsenoside R0_Qt
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Chikusetsusaponin Ⅳa
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Chikusetsusaponin ⅳa
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Chikusetsusaponin ⅳa
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ginsenoside R0_Qt
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ginsenoside Ro
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ginsenoside Ro
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ginsenoside Ro
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ginsenoside r0_qt
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ginsenoside r0_qt
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ginsenoside ro
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ginsenoside ro
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Oleanolic acid bisdesmosides
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Oleanolic acid bisdesmosides
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
chikusetsusaponin Ⅳa
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
chikusetsusaponin Ⅳa
Role
preferred
Source
TCMBank
Preferred
Yes
Name
ginsenoside R0_qt
Role
preferred
Source
TCMBank
Preferred
Yes
Name
oleanolic acid bisdesmosides
Role
preferred
Source
TCMBank
Preferred
Yes
Name
竹节三七
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZHU JIE SAN QI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Ginseng
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
34367-04-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
34367-04-9
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:67981
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:67981
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chikusetsusaponin 5
Role
alias
Source
HERB_v2
Preferred
No
Name
Chikusetsusaponin 5
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chikusetsusaponin V
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chikusetsusaponin V
Role
alias
Source
HERB_v2
Preferred
No
Name
GINSENOSIDERO
Role
alias
Source
itcmdb_public
Preferred
No
Name
GINSENOSIDERO
Role
alias
Source
HERB_v2
Preferred
No
Name
OF1PLT74Q8
Role
alias
Source
itcmdb_public
Preferred
No
Name
OF1PLT74Q8
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-OF1PLT74Q8
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-OF1PLT74Q8
Role
alias
Source
HERB_v2
Preferred
No
Name
chikusetsu saponin V
Role
alias
Source
TCMBank
Preferred
No
Name
chikusetsusaponin,iva
Role
alias
Source
TCMBank
Preferred
No
Name
Ginsenoside R0
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
ginsenoside R0
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
ginsenoside-r0
Role
preferred
Source
TCMBank
Preferred
Yes

Aliases

Additional names normalized into the restored final schema.

Chikusetsusaponin ⅣaGinsenoside R0_QtOleanolic acid bisdesmosides竹节三七ZHU JIE SAN QIJapanese Ginseng34367-04-9CHEBI:67981Chikusetsusaponin 5Chikusetsusaponin VGINSENOSIDEROOF1PLT74Q8UNII-OF1PLT74Q8chikusetsu saponin Vchikusetsusaponin,ivaGinsenoside R0ginsenoside-r0

Cross References

Trusted external identifiers retained for this final record.

Cas
34367-04-9
Herb
HBIN020296HBIN027719HBIN027783HBIN038000HBIN027717HBIN027718HBIN027784
Npass
NPC251768
Tcmid
310388444
Tcmsp
MOL005325MOL007485MOL011389MOL012330MOL012331
Sym Map
SMIT07101SMIT08911SMIT12306SMIT13096SMIT13097SMIT15587SMIT19214
Tcm Id
1300521154041130064041
Pub Chem
11815492131676767
Tcmbank
TCMBANKIN000331TCMBANKIN009948TCMBANKIN028422TCMBANKIN037329TCMBANKIN059621
Etcm Ingredient
Chikusetsu saponin ⅣaGinsenoside Rochikusetsusaponin Ⅳaginsenoside R0
Itcmdb Generated
ITX-INGREDIENT-15A49249B463ITX-INGREDIENT-3AAC658EC9EEITX-INGREDIENT-5050AB18840AITX-INGREDIENT-FC79D3A6E801ITX-INGREDIENT-8DE394488A0B

Attributes

Merged source attributes and domain-specific metadata.

Type
Blood ingredients,Other ingredientsOther ingredients
Alog P
1
In Ch I
InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-35(58)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(33(56)32(55)36(65-41)38(59)60)66-39-34(57)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31-,32-,33-,34+,35+,36-,37+,39-,40-,41+,45-,46+,47+,48-/m0/s1InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-35(58)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(33(56)32(55)36(65-41)38(59)60)66-39-34(57)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)/t22?,23?,24?,25?,26?,27-,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,39?,40?,41?,45-,46+,47+,48-/m0/s1
Mol Wt
957.1170000000008
Cas Id
34367-04-9
Smiles
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C
37 Flag
37
C Count
48
Mol Log P
0.2328000000000059
N Count
0
O Count
19
P Count
0
S Count
0
Version
v1,v2
In Ch Ikey
NFZYDZXHKFHPGA-QQHDHSITSA-NNFZYDZXHKFHPGA-UOWPQPKISA-N
Ob Score
1.9812167911.981216791;2.104723257;1.95038792717.40717.40724317.407243326.8236.8234346.823434076
Suppress
0
Tcm Name
竹节三七
Tcm Name2
ZHU JIE SAN QI
Mol2 Path
/TCM_database/2007_3d_all/08445.mol2
Reference
2, 5508
Num Hdonors
11
Tcm Name En
Japanese Ginseng
Num H Donors
11
Drug Likeness
0.084
Num Hacceptors
18
Isomeric Smiles
C[C@]12CC[C@@H](C(C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5(C4CC(CC5)(C)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C)C)(C)C)OC7C(C(C(C(O7)C(=O)O)O)O)OC8C(C(C(C(O8)CO)O)O)OC[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O
Molecule Weight
456.78795.08957.24
Num H Acceptors
19
Canonical Smiles
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C
Molecular Weight
794.450956.500
Molecular Volume
643
Molecular Weight
957957.11
Molecule Formula
C48H76O19
Molecular Formula
C42H66O14C48H76O19
Molecular Formula
C48H76O19
Molecular Formula
C48H76O19
Num Rotatable Bonds
9
Num Rotatable Bonds
10
Molecular Polar Surface Area
312
Fda Maximum Daily Dose (Fdamdd)
0.3310.8720.900
Quantitative Estimate Of Drug Likeness（Qed）
0.0840.110