Glycoside
GD031117
Name:
NoneFormula:
C11H16O5N6Smiles:
CNc1nc2c(=O)[nH]c(N)nc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CNC1=Nc2c(nc(N)[nH]c2=O)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -2.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 312.29 | Num_heavy_atoms: | 22 |
| TPSA: | 171.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD20071
Formula: C6H7ON6
Smiles:
CNC1=Nc2c(nc(N)[nH]c2=O)[N]1| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 0 |
| MolWt: | 179.16 | Num_heavy_atoms: | 13 |
| TPSA: | 110.26 | NumAromaticRings: | 1 |
