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
- 20380
- Core Entity Id
- 25832
- Source Entity Count
- 1
- Preferred Name
- Glochiflavanoside b
- Name En
- Pubchem Id
- 11103219
- Smiles Canonical
- COC1=CC(=CC(=C1O)OC)C2C(CC3=C(O2)C=C(C=C3OC)OC4C(C(C(C(O4)CO)O)O)O)O
- Molecular Formula
- C24H30O12
- Molecular Weight
- 510.4920
- Inchikey
- CWNQCRVGOLTLSA-MTGIANMYSA-N
- Inchi
- InChI=1S/C24H30O12/c1-31-14-6-11(34-24-22(30)21(29)20(28)18(9-25)36-24)7-15-12(14)8-13(26)23(35-15)10-4-16(32-2)19(27)17(5-10)33-3/h4-7,13,18,20-30H,8-9H2,1-3H3/t13-,18+,20+,21-,22+,23+,24+/m0/s1
- Isomeric Smiles
- COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H](CC3=C(O2)C=C(C=C3OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.3662
- Num H Donors
- 6
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.2850
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glochiflavanoside b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Glochiflavanoside b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
glochiflavanoside B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
glochiflavanoside b
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027985
Npass
NPC72067
Tcmid
8571
Pub Chem
11103219
Tcmbank
TCMBANKIN034298
Etcm Ingredient
glochiflavanoside B
Itcmdb Generated
ITX-INGREDIENT-B003144393F4
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H30O12/c1-31-14-6-11(34-24-22(30)21(29)20(28)18(9-25)36-24)7-15-12(14)8-13(26)23(35-15)10-4-16(32-2)19(27)17(5-10)33-3/h4-7,13,18,20-30H,8-9H2,1-3H3/t13-,18+,20+,21-,22+,23+,24+/m0/s1
Mol Wt
510.4920000000002
Smiles
COC1=CC(=CC(=C1O)OC)C2C(CC3=C(O2)C=C(C=C3OC)OC4C(C(C(C(O4)CO)O)O)O)O
Mol Log P
-0.3662000000000007
In Ch Ikey
CWNQCRVGOLTLSA-MTGIANMYSA-N
Num Hdonors
6
Drug Likeness
0.285
Num Hacceptors
12
Isomeric Smiles
COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H](CC3=C(O2)C=C(C=C3OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Canonical Smiles
COC1=CC(=CC(=C1O)OC)C2C(CC3=C(O2)C=C(C=C3OC)OC4C(C(C(C(O4)CO)O)O)O)O
Molecular Weight
510.170
Molecular Weight
510.5 g/mol
Molecular Formula
C24H30O12
Molecular Formula
C24H30O12
Molecular Formula
C24H30O12
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.066
Quantitative Estimate Of Drug Likeness（Qed）
0.285