Glycoside
GD043835
Name:
NoneFormula:
C12H14O5N2Smiles:
O=c1[nH]c2ccccc2nc1[C@@H](O)[C@H](O)[C@H](O)COAglycone:
O=c1cnc2ccccc2[nH]1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 266.25 | Num_heavy_atoms: | 19 |
| TPSA: | 126.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD24967
Formula: C8H6ON2
Smiles:
O=c1cnc2ccccc2[nH]1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 0 |
| MolWt: | 146.15 | Num_heavy_atoms: | 11 |
| TPSA: | 45.75 | NumAromaticRings: | 2 |
