Glycoside
GD133268
Name:
NoneFormula:
C32H38O11N5Smiles:
CNC(=N)NCc1c(CCc2ccc([NH3+])nc2)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)C(O)C3O)cc(OC)c(CO)c1C2=[O+]Aglycone:
CNC(=N)NCc1c(CCc2ccc([NH3+])nc2)cc2c(c1O)C(=O)c1c(O)cc(OC)c(CO)c1C2=[OH+]Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.38 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 10 |
| MolWt: | 668.68 | Num_heavy_atoms: | 48 |
| TPSA: | 274.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD53944
Formula: C26H29O6N5
Smiles:
CNC(=N)NCc1c(CCc2ccc([NH3+])nc2)cc2c(c1O)C(=O)c1c(O)cc(OC)c(CO)c1C2=[OH+]| HBA: | 11 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.23 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 507.55 | Num_heavy_atoms: | 37 |
| TPSA: | 196.83 | NumAromaticRings: | 3 |
