Glycoside
GD004228
Name:
NoneFormula:
C18H21O6N5Smiles:
Cn1c(N)nc2c(nc(OCc3ccccc3)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1=OAglycone:
Cn1c(N)nc2c(c1=O)N=C(OCc1ccccc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 403.4 | Num_heavy_atoms: | 29 |
| TPSA: | 157.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD03720
Formula: C13H12O2N5
Smiles:
Cn1c(N)nc2c(c1=O)N=C(OCc1ccccc1)[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 270.27 | Num_heavy_atoms: | 20 |
| TPSA: | 96.6 | NumAromaticRings: | 2 |
