Glycoside
GD059460
Name:
NoneFormula:
C14H17O4N6Smiles:
OC[C@H]1O[C@@H](n2ccc3c([NH+]=c4[nH]cc[nH]4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Cc2c(ncnc2[NH+]=c2[nH]cc[nH]2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | -2.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 333.33 | Num_heavy_atoms: | 24 |
| TPSA: | 146.18 | NumAromaticRings: | 3 |
Unique Aglycone
AD29440
Formula: C9H8N6
Smiles:
C1=Cc2c(ncnc2[NH+]=c2[nH]cc[nH]2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.21 | Num_heavy_atoms: | 15 |
| TPSA: | 85.43 | NumAromaticRings: | 2 |
