Glycoside
GD079380
Name:
NoneFormula:
C18H28O5N6Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NCCCCN4CCOCC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCCCCN2CCOCC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 408.46 | Num_heavy_atoms: | 29 |
| TPSA: | 138.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD36308
Formula: C13H19ON6
Smiles:
C1=Nc2c(ncnc2NCCCCN2CCOCC2)[N]1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 275.34 | Num_heavy_atoms: | 20 |
| TPSA: | 76.74 | NumAromaticRings: | 1 |
