Glycoside
GD009786
Name:
NoneFormula:
C18H23O4N7Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)nc(-n4cccn4)nc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(nc(-n3cccn3)nc2NC2CCCC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 401.43 | Num_heavy_atoms: | 29 |
| TPSA: | 143.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD07647
Formula: C13H14N7
Smiles:
C1=Nc2c(nc(-n3cccn3)nc2NC2CCCC2)[N]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 268.3 | Num_heavy_atoms: | 20 |
| TPSA: | 82.09 | NumAromaticRings: | 2 |
