Glycoside
GD027545
Name:
NoneFormula:
C12H14O7N2Smiles:
O=CC=Cn1c(=O)ccn(C2O[C@H](CO)[C@H](O)[C@H]2O)c1=OAglycone:
O=CC=Cn1c(=O)cc[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | -2.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 298.25 | Num_heavy_atoms: | 21 |
| TPSA: | 130.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD18092
Formula: C7H6O3N2
Smiles:
O=CC=Cn1c(=O)cc[nH]c1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.14 | Num_heavy_atoms: | 12 |
| TPSA: | 71.93 | NumAromaticRings: | 1 |
