Glycoside
GD118038
Name:
NoneFormula:
C19H23O4N3Smiles:
OC(CC1OC(CNCc2ccccn2)C(O)C1O)=Nc1ccccc1Aglycone:
CC(O)=Nc1ccccc1.CNCc1ccccn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 357.41 | Num_heavy_atoms: | 26 |
| TPSA: | 107.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD20141
Formula: C7H10N2
Smiles:
CNCc1ccccn1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 24.92 | NumAromaticRings: | 1 |
AD45684
Formula: C8H9ON
Smiles:
CC(O)=Nc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
