Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25496
- Core Entity Id
- 31533
- Source Entity Count
- 1
- Preferred Name
- Majoroside f2
- Name En
- Pubchem Id
- 13992213
- Smiles Canonical
- CC(=C)C(CCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)O
- Molecular Formula
- C42H72O14
- Molecular Weight
- 801.0240
- Inchikey
- UJUDHUMABIRGHD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C42H72O14/c1-20(2)22(45)10-16-42(8,56-37-35(52)33(50)31(48)25(19-44)54-37)21-9-14-41(7)29(21)23(46)17-27-39(5)13-12-28(38(3,4)26(39)11-15-40(27,41)6)55-36-34(51)32(49)30(47)24(18-43)53-36/h21-37,43-52H,1,9-19H2,2-8H3
- Isomeric Smiles
- CC(=C)C(CCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)O
- Cas Id
- 114019-97-5
- Ob Score
- 10.7260
- Mol Logp
- 1.1198
- Num H Donors
- 10
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 11
- Drug Likeness
- 0.1040
- Polar Surface Area
- 239.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Majoroside F2
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Majoroside F2_Qt
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Majoroside F2
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Majoroside F2_Qt
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Majoroside f2
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Majoroside f2
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Majoroside f2_qt
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Majoroside f2_qt
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
majoroside F2
Role
preferred
Source
TCMBank
Preferred
Yes
Name
majoroside F2
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
majoroside F2_qt
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-((12-hydroxy-17-(5-hydroxy-6-methyl-2-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyhept-6-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-yl)oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-((12-hydroxy-17-(5-hydroxy-6-methyl-2-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyhept-6-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-yl)oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
ginsenoside Rg7_qt
Role
alias
Source
itcmdb_public
Preferred
No
Name
ginsenoside Rg7_qt
Role
alias
Source
TCMBank
Preferred
No
Name
ginsenoside Rg7_qt
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Majoroside F2_Qt2-((12-hydroxy-17-(5-hydroxy-6-methyl-2-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyhept-6-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-yl)oxy)-6-(hydroxymethyl)oxane-3,4,5-triolginsenoside Rg7_qt
Cross References
Trusted external identifiers retained for this final record.
Cas
114019-97-5
Herb
HBIN034289HBIN034290
Tcmsp
MOL012649MOL012669
Sym Map
SMIT13388SMIT13407
Pub Chem
13992213
Tcmbank
TCMBANKIN006755TCMBANKIN021105
Etcm Ingredient
majoroside F2
Itcmdb Generated
ITX-INGREDIENT-FF98DFA71B6D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C42H72O14/c1-20(2)22(45)10-16-42(8,56-37-35(52)33(50)31(48)25(19-44)54-37)21-9-14-41(7)29(21)23(46)17-27-39(5)13-12-28(38(3,4)26(39)11-15-40(27,41)6)55-36-34(51)32(49)30(47)24(18-43)53-36/h21-37,43-52H,1,9-19H2,2-8H3
Mol Wt
801.0240000000007
Cas Id
114019-97-5
Smiles
CC(=C)C(CCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)O
Mol Log P
1.119800000000003
Version
v1,v2
In Ch Ikey
UJUDHUMABIRGHD-UHFFFAOYSA-N
Ob Score
10.72610.7260545210.7260557.6727.672067.672060166
Suppress
0
Num Hdonors
10
Drug Likeness
0.104
Num Hacceptors
14
Isomeric Smiles
CC(=C)C(CCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)O
Molecule Weight
476.82801.14
Canonical Smiles
CC(=C)C(CCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)O
Herb Alias Names
2-((12-hydroxy-17-(5-hydroxy-6-methyl-2-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyhept-6-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-yl)oxy)-6-(hydroxymethyl)oxane-3,4,5-triol2-[[12-hydroxy-17-[5-hydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-6-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight
800.490
Molecular Weight
801.01
Molecular Formula
C42H72O14
Molecular Formula
C42H72O14
Molecular Formula
C42H72O14
Num Rotatable Bonds
11
Fda Maximum Daily Dose (Fdamdd)
0.089
Quantitative Estimate Of Drug Likeness（Qed）
0.104