Glycoside
GD062568
Name:
NoneFormula:
C17H29O4N4Smiles:
C[NH+](C)CCNC(=O)C[C@@H]1O[C@H](CNCc2ccccn2)[C@@H](O)[C@H]1OAglycone:
CC(=O)NCC[NH+](C)C.CNCc1ccccn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -2.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 353.44 | Num_heavy_atoms: | 25 |
| TPSA: | 108.15 | NumAromaticRings: | 1 |
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 |
AD27256
Formula: C6H15ON2
Smiles:
CC(=O)NCC[NH+](C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 131.2 | Num_heavy_atoms: | 9 |
| TPSA: | 33.54 | NumAromaticRings: | 0 |
