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
- 20910
- Core Entity Id
- 26425
- Source Entity Count
- 1
- Preferred Name
- Gypenoside lxvii
- Name En
- Pubchem Id
- 11968545
- Smiles Canonical
- CC(=CCCC(C)(C1CCC2(C1CCC3C2(CCC4C3(CC(C(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)CO)C)C)OC7C(C(C(C(O7)COC8C(C(C(CO8)O)O)O)O)O)O)C
- Molecular Formula
- C53H90O23
- Molecular Weight
- 1095.2800
- Inchikey
- RSUJKKQKHUMRGZ-OPGDDASESA-N
- Inchi
- InChI=1S/C53H90O23/c1-23(2)9-8-14-52(7,76-47-42(68)38(64)36(62)30(73-47)21-70-45-40(66)33(59)27(58)20-69-45)25-12-15-50(5)24(25)10-11-32-51(50,6)16-13-31-49(3,4)44(26(57)17-53(31,32)22-56)75-48-43(39(65)35(61)29(19-55)72-48)74-46-41(67)37(63)34(60)28(18-54)71-46/h9,24-48,54-68H,8,10-22H2,1-7H3/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?/m1/s1
- Isomeric Smiles
- CC(=CCCC(C)(C1CCC2(C1CCC3C2(CCC4C3(CC(C(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)CO)C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- -2.5911
- Num H Donors
- 15
- Num H Acceptors
- 23
- Num Rotatable Bonds
- 16
- Drug Likeness
- 0.0560
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Gypenoside Lxvii
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Gypenoside LXVII
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Gypenoside LXVII
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Gypenoside Lxvii
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Gypenoside lxvii
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Gypenoside lxvii
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
绞股蓝
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIAO GU LAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Fiveleaf Gynostemma
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
绞股蓝JIAO GU LANFiveleaf Gynostemma
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028642
Npass
NPC168336
Tcmid
9169
Sym Map
SMIT24342
Pub Chem
11968545
Tcmbank
TCMBANKIN049485
Etcm Ingredient
Gypenoside LXVII
Itcmdb Generated
ITX-INGREDIENT-16F3CCB3C285ITX-INGREDIENT-74F3A14425CB
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C53H90O23/c1-23(2)9-8-14-52(7,76-47-42(68)38(64)36(62)30(73-47)21-70-45-40(66)33(59)27(58)20-69-45)25-12-15-50(5)24(25)10-11-32-51(50,6)16-13-31-49(3,4)44(26(57)17-53(31,32)22-56)75-48-43(39(65)35(61)29(19-55)72-48)74-46-41(67)37(63)34(60)28(18-54)71-46/h9,24-48,54-68H,8,10-22H2,1-7H3/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?/m1/s1
Mol Wt
1095.280000000001
Mol Log P
-2.591099999999985
Version
v2
In Ch Ikey
RSUJKKQKHUMRGZ-OPGDDASESA-N
Suppress
0
Tcm Name
绞股蓝
Tcm Name2
JIAO GU LAN
Mol2 Path
/TCM_database/2007_3d_all/09170.mol2
Reference
2
Num Hdonors
15
Tcm Name En
Fiveleaf Gynostemma
Drug Likeness
0.056
Num Hacceptors
23
Isomeric Smiles
CC(=CCCC(C)(C1CCC2(C1CCC3C2(CCC4C3(CC(C(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)CO)C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O)O)C
Canonical Smiles
CC(=CCCC(C)(C1CCC2(C1CCC3C2(CCC4C3(CC(C(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)CO)C)C)OC7C(C(C(C(O7)COC8C(C(C(CO8)O)O)O)O)O)O)C
Molecular Weight
1094.590
Molecular Formula
C53H90O23
Molecular Formula
C53H90O23
Num Rotatable Bonds
16
Fda Maximum Daily Dose (Fdamdd)
0.001
Quantitative Estimate Of Drug Likeness（Qed）
0.056