Glycoside
GD121783
Name:
NoneFormula:
C22H34O5N4Smiles:
CCC(CC)C(O)=NCC1OC(CC(=[O+])N2CCN(c3ccccn3)CC2)C(O)C1OAglycone:
CC(=[OH+])N1CCN(c2ccccn2)CC1.CCC(CC)C(O)=NCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 434.54 | Num_heavy_atoms: | 31 |
| 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 |
AD47915
Formula: C7H15ON
Smiles:
CCC(CC)C(O)=NC| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 129.2 | Num_heavy_atoms: | 9 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
