Glycoside
GD007971
Name:
NoneFormula:
C21H24O4N8Smiles:
OC[C@@H]1O[C@H](n2cnc3c(Nc4ccccc4)nc(NCCc4cnc[nH]4)nc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(nc(NCCc3cnc[nH]3)nc2Nc2ccccc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 8 |
| MolWt: | 452.48 | Num_heavy_atoms: | 33 |
| TPSA: | 166.26 | NumAromaticRings: | 4 |
Unique Aglycone
AD06425
Formula: C16H15N8
Smiles:
C1=Nc2c(nc(NCCc3cnc[nH]3)nc2Nc2ccccc2)[N]1| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 319.35 | Num_heavy_atoms: | 24 |
| TPSA: | 104.98 | NumAromaticRings: | 3 |
