Glycoside
GD125337
Name:
NoneFormula:
C24H30O6N4Smiles:
COc1ccc(C(=O)NCC2OC(CC(=[O+])N3CCN(c4ccccn4)CC3)C(O)C2O)cc1Aglycone:
CC(=[OH+])N1CCN(c2ccccn2)CC1.CNC(=O)c1ccc(OC)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 470.53 | Num_heavy_atoms: | 34 |
| TPSA: | 127.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD05627
Formula: C9H11O2N
Smiles:
CNC(=O)c1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 165.19 | Num_heavy_atoms: | 12 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
AD47809
Formula: C11H16ON3
Smiles:
CC(=[OH+])N1CCN(c2ccccn2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 206.27 | Num_heavy_atoms: | 15 |
| TPSA: | 40.77 | NumAromaticRings: | 1 |
