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
- 40506
- Core Entity Id
- 83517
- Source Entity Count
- 1
- Preferred Name
- 2'-O-beta-D-glucopyranosyl momordin Ic
- Name En
- Pubchem Id
- 162913215
- Smiles Canonical
- CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1
- Molecular Formula
- C47H74O18
- Molecular Weight
- 927.0000
- Inchikey
- ZQJUBKCZQLYDNH-QPEWKTPPSA-N
- Inchi
- InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-36(65-39-32(54)30(52)29(51)24(19-48)61-39)34(33(55)35(64-40)37(56)57)63-38-31(53)28(50)23(49)20-60-38/h8,22-36,38-40,48-55H,9-20H2,1-7H3,(H,56,57)(H,58,59)/t22-,23-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,36-,38+,39+,40-,44+,45-,46-,47+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.0000
- Num H Donors
- 10
- Num H Acceptors
- 18
- Num Rotatable Bonds
- 9
- Drug Likeness
- Polar Surface Area
- 292.0000
- Molecular Volume
- 625.0000
- Alogp
- 2.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2'-O-beta-D-glucopyranosyl momordin Ic
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2'-O-beta-D-glucopyranosyl momordin Ic
Role
preferred
Source
TCMBank
Preferred
Yes
Name
地肤子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Kochia scoparia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
地肤子Kochia scoparia
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN001280
Etcm Ingredient
2'-O-beta-D-glucopyranosyl momordin Ic
Itcmdb Generated
ITX-INGREDIENT-3A0EB990E755ITX-INGREDIENT-E4D1FDB1F96B
Attributes
Merged source attributes and domain-specific metadata.
Alog P
2
Smiles
[C@]1([H])(O[H])C([H])([H])O[C@@]([H])(O[C@]2([H])[C@@]([H])(O[C@@]([H])([C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])C([H])([H])O[H])O3)[C@]([H])(O[C@]4([H])C(C([H])([H])[H])(C([H])([H])[
H])[C@]5([H])[C@@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C6([H])[H])[C@@]6(C(O[H])=O)C([H])([H])C7([H])[H])[C@@]78C([H])([H])
[H])[C@@]8(C([H])([H])[H])C([H])([H])C5([H])[H])C([H])([H])C4([H])[H])O[C@]([H])(C(O[H])=O)[C@@]2([H])O[H])[C@]([H])(O[H])[C@@]1([H])O[H]
37 Flag
37
C Count
47
N Count
0
O Count
18
P Count
0
S Count
0
Tcm Name
地肤子
Mol2 Path
/TCM_database/4.利水渗湿药(27-27)/2.利水通淋药(11-11)/地肤子/structure/2'-O-beta-D-glucopyranosyl momordin Ic.mol2
Tcm Name En
Kochia scoparia
Level1 Name
4.利水渗湿药(27-27)
Level2 Name
2.利水通淋药(11-11)
Num H Donors
10
Level1 Name En
dampness-resolving medicinal
Level2 Name En
water-draining and strangury-relieving medicinal
Num H Acceptors
18
Molecular Weight
926.490
Molecular Volume
625
Molecular Weight
927
Molecular Formula
C47H74O18
Molecular Formula
C47H74O18
Num Rotatable Bonds
9
Molecular Polar Surface Area
292
Fda Maximum Daily Dose (Fdamdd)
0.871
Quantitative Estimate Of Drug Likeness（Qed）
0.116