Glycoside
GD134752
Name:
NoneFormula:
C32H39O11N5Smiles:
CNC(=N)NCc1c(CCC2=CNC(N)C=C2)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)C(O)C3O)cc(OC)c(CO)c1C2=OAglycone:
CNC(=N)NCc1c(CCC2=CNC(N)C=C2)cc2c(c1O)C(=O)c1c(O)cc(OC)c(CO)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.41 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 10 |
| MolWt: | 669.69 | Num_heavy_atoms: | 48 |
| TPSA: | 269.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD54448
Formula: C26H29O6N5
Smiles:
CNC(=N)NCc1c(CCC2=CNC(N)C=C2)cc2c(c1O)C(=O)c1c(O)cc(OC)c(CO)c1C2=O| HBA: | 11 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.27 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 507.55 | Num_heavy_atoms: | 37 |
| TPSA: | 190.02 | NumAromaticRings: | 2 |
