Glycoside
GD133785
Name:
NoneFormula:
C31H36O11N5Smiles:
CNC(=N)NCc1c(CCc2ccc([NH3+])nc2)cc2c(c1O)C(=O)c1c(OC3OC(O)(CO)C(O)C(O)C3O)cc(OC)cc1C2=[O+]Aglycone:
CNC(=N)NCc1c(CCc2ccc([NH3+])nc2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=[OH+]Sugarmoiety:
OCC1(O)OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.35 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 654.65 | Num_heavy_atoms: | 47 |
| TPSA: | 274.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD54128
Formula: C25H27O5N5
Smiles:
CNC(=N)NCc1c(CCc2ccc([NH3+])nc2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=[OH+]| HBA: | 10 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.2 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 477.52 | Num_heavy_atoms: | 35 |
| TPSA: | 176.6 | NumAromaticRings: | 3 |
