Glycoside
GD117942
Name:
4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1,3-benzoxazol-2-oneFormula:
C13H15O8NSmiles:
OCC1OC(Oc2cccc3oc(O)nc23)C(O)C(O)C1OAglycone:
Oc1nc2c(O)cccc2o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 313.26 | Num_heavy_atoms: | 22 |
| TPSA: | 145.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD47098
Formula: C7H5O3N
Smiles:
Oc1nc2c(O)cccc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 0 |
| MolWt: | 151.12 | Num_heavy_atoms: | 11 |
| TPSA: | 66.49 | NumAromaticRings: | 2 |
