Glycoside
GD005028
Name:
NoneFormula:
C18H20O4N4Smiles:
OC[C@@H]1OC(n2cnc3c(NCc4ccccc4)nccc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ccnc2NCc2ccccc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 356.38 | Num_heavy_atoms: | 26 |
| TPSA: | 112.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD04310
Formula: C13H11N4
Smiles:
C1=Nc2c(ccnc2NCc2ccccc2)[N]1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 223.26 | Num_heavy_atoms: | 17 |
| TPSA: | 51.38 | NumAromaticRings: | 2 |
