Glycoside
GD104319
Name:
NoneFormula:
C21H27O7N5Smiles:
CC(=O)O[C@H]1CO[C@@H](n2cnc3c(N4CCCCC4)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
C1=Nc2c(ncnc2N2CCCCC2)[N]1Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.62 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 461.48 | Num_heavy_atoms: | 33 |
| TPSA: | 134.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD10668
Formula: C10H12N5
Smiles:
C1=Nc2c(ncnc2N2CCCCC2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 202.24 | Num_heavy_atoms: | 15 |
| TPSA: | 55.48 | NumAromaticRings: | 1 |
