Glycoside
GD140950
Name:
NoneFormula:
C31H37O11N5Smiles:
CNC(=N)NCc1c(CCC2=CNC(N)C=C2)cc2c(c1O)C(=O)c1c(OC3OC(O)(CO)C(O)C(O)C3O)cc(OC)cc1C2=OAglycone:
CNC(=N)NCc1c(CCC2=CNC(N)C=C2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=OSugarmoiety:
OCC1(O)OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.39 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 9 |
| MolWt: | 655.66 | Num_heavy_atoms: | 47 |
| TPSA: | 269.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD47258
Formula: C25H27O5N5
Smiles:
CNC(=N)NCc1c(CCC2=CNC(N)C=C2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O| HBA: | 10 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.24 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 477.52 | Num_heavy_atoms: | 35 |
| TPSA: | 169.79 | NumAromaticRings: | 2 |
