IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
alpha-D-Xylofuranoside, methyl 2,3-di-O-methyl-
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016757
Phytochemical name:
alpha-D-Xylofuranoside, methyl 2,3-di-O-methyl-
Synonymous chemical names:
methyl-2-o-methyl-α-d-xylofuranoside
External chemical identifiers:
CID:12775311
Chemical structure information
SMILES:
OC[C@H]1O[C@@H]([C@@H]([C@H]1OC)OC)OC
InChI:
InChI=1S/C8H16O5/c1-10-6-5(4-9)13-8(12-3)7(6)11-2/h5-9H,4H2,1-3H3/t5-,6+,7-,8+/m1/s1
InChIKey:
FYKMACNFDGQAMI-CWKFCGSDSA-N
DeepSMILES:
OC[C@H]O[C@@H][C@@H][C@H]5OC)))OC)))OC
Functional groups:
CO, COC, CO[C@H](C)OC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CCOC1
Scaffold Graph/Node level:
C1CCOC1
Scaffold Graph level:
C1CCCC1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic oxygen compounds
ClassyFire Class:
Organooxygen compounds
ClassyFire Subclass:
Carbohydrates and carbohydrate conjugates
NP Classifier Biosynthetic pathway:
Carbohydrates
NP-Likeness score:
2.103
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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