Glycoside
GD101653
Name:
NoneFormula:
C21H25O8N5Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N=C4CCOCC4)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
C1=Nc2c(ncnc2N=C2CCOCC2)[N]1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.57 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 475.46 | Num_heavy_atoms: | 34 |
| TPSA: | 153.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD29960
Formula: C10H10ON5
Smiles:
C1=Nc2c(ncnc2N=C2CCOCC2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 216.22 | Num_heavy_atoms: | 16 |
| TPSA: | 73.83 | NumAromaticRings: | 1 |
