Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 52972
- Core Entity Id
- 95983
- Source Entity Count
- 1
- Preferred Name
- 10r-chrysaloin 1-o-β-d-glucopyranoside
- Name En
- Pubchem Id
- 73802882
- Smiles Canonical
- Cc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)C(C1OC(CO)C(O)C(O)C1O)c1cccc(O)c1C2=O
- Molecular Formula
- C27H32O13
- Molecular Weight
- 564.1800
- Inchikey
- BMRYROKWSINDNV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C27H32O13/c1-9-5-11-16(26-24(36)22(34)19(31)14(7-28)38-26)10-3-2-4-12(30)17(10)21(33)18(11)13(6-9)39-27-25(37)23(35)20(32)15(8-29)40-27/h2-6,14-16,19-20,22-32,34-37H,7-8H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.7000
- Num H Donors
- 9
- Num H Acceptors
- 13
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 227.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
10R-Chrysaloin 1-O-β-D-glucopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
10r-chrysaloin 1-o-β-d-glucopyranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN049445
Etcm Ingredient
10R-Chrysaloin 1-O-β-D-glucopyranoside
Itcmdb Generated
ITX-INGREDIENT-ADA877AF1FF1
Attributes
Merged source attributes and domain-specific metadata.
Smiles
CC1=CC(=C2C(=C1)C(C3=C(C2=O)C(=CC=C3)O)C4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O
Mol2 Path
/TCM_database/2007_3d_all/03590.mol2
Reference
4273
Molecular Weight
564.180
Molecular Formula
C27H32O13
Molecular Formula
C27H32O13
Fda Maximum Daily Dose (Fdamdd)
0.005
Quantitative Estimate Of Drug Likeness（Qed）
0.158