Glycoside
GD013540
Name:
NoneFormula:
C16H22O6N6Smiles:
CNC(=O)OC[C@@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCOC2)[N]1.CNC(=O)OCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 394.39 | Num_heavy_atoms: | 28 |
| TPSA: | 152.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD00472
Formula: C3H7O2N
Smiles:
CNC(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 89.09 | Num_heavy_atoms: | 6 |
| TPSA: | 38.33 | NumAromaticRings: | 0 |
AD01177
Formula: C9H10ON5
Smiles:
C1=Nc2c(ncnc2NC2CCOC2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 204.21 | Num_heavy_atoms: | 15 |
| TPSA: | 73.5 | NumAromaticRings: | 1 |
