Glycoside
GD021176
Name:
NoneFormula:
C22H26O6N6Smiles:
O=C(O)CCCC(=O)NC[C@@H]1OC(n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCc2ccccc2)[N]1.CNC(=O)CCCC(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 10 |
| MolWt: | 470.49 | Num_heavy_atoms: | 34 |
| TPSA: | 171.72 | NumAromaticRings: | 3 |
Unique Aglycone
AD01429
Formula: C12H10N5
Smiles:
C1=Nc2c(ncnc2NCc2ccccc2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 224.25 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD14511
Formula: C6H11O3N
Smiles:
CNC(=O)CCCC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 145.16 | Num_heavy_atoms: | 10 |
| TPSA: | 66.4 | NumAromaticRings: | 0 |
