Glycoside
GD016171
Name:
NoneFormula:
C16H18O6N2Smiles:
OCC1O[C@H](ON=Cc2ccc3ccccc3n2)C(O)[C@H](O)C1OAglycone:
ON=Cc1ccc2ccccc2n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 334.33 | Num_heavy_atoms: | 24 |
| TPSA: | 124.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD11679
Formula: C10H8ON2
Smiles:
ON=Cc1ccc2ccccc2n1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 172.19 | Num_heavy_atoms: | 13 |
| TPSA: | 45.48 | NumAromaticRings: | 2 |
