Glycoside
GD090973
Name:
NoneFormula:
C20H26O4N8Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CCN(c5cc(C6CC6)[nH]n5)CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N2CCN(c3cc(C4CC4)[nH]n3)CC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 442.48 | Num_heavy_atoms: | 32 |
| TPSA: | 148.68 | NumAromaticRings: | 3 |
Unique Aglycone
AD39621
Formula: C15H17N8
Smiles:
C1=Nc2c(ncnc2N2CCN(c3cc(C4CC4)[nH]n3)CC2)[N]1| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 309.36 | Num_heavy_atoms: | 23 |
| TPSA: | 87.4 | NumAromaticRings: | 2 |
