Glycoside
GD075808
Name:
NoneFormula:
C18H25O4N6Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CC[C@H]([NH+]5CC=CC5)C4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=CC[NH+](C2CCN(c3ncnc4c3N=C[N]4)C2)C1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | -2.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 389.44 | Num_heavy_atoms: | 28 |
| TPSA: | 121.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD35107
Formula: C13H16N6
Smiles:
C1=CC[NH+](C2CCN(c3ncnc4c3N=C[N]4)C2)C1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 256.31 | Num_heavy_atoms: | 19 |
| TPSA: | 59.92 | NumAromaticRings: | 1 |
