Glycoside
GD031999
Name:
NoneFormula:
C21H25O5N7Smiles:
NC(=O)CCC(=O)NC[C@@H]1OC(n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCc2ccccc2)[N]1.CNC(=O)CCC(N)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 9 |
| MolWt: | 455.48 | Num_heavy_atoms: | 33 |
| TPSA: | 177.51 | 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 |
AD20560
Formula: C5H10O2N2
Smiles:
CNC(=O)CCC(N)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 130.15 | Num_heavy_atoms: | 9 |
| TPSA: | 72.19 | NumAromaticRings: | 0 |
