Glycoside
GD151810
Name:
NoneFormula:
C18H26O5N4Smiles:
CC(O)=NCC1OC(CC(=[O+])N2CCN(c3ccccn3)CC2)C(O)C1OAglycone:
CC(=[OH+])N1CCN(c2ccccn2)CC1.CN=C(C)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.61 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 378.43 | Num_heavy_atoms: | 27 |
| TPSA: | 121.55 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD48116
Formula: C3H7ON
Smiles:
CN=C(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
