Glycoside
GD020777
Name:
NoneFormula:
C32H35O14N9P2Smiles:
Nc1nc(O)c2ncn(C3O[C@H](COP(=O)(O)OP(=O)(O)OCc4cn(CCCCC(=O)NC5=CC6C(=O)c7ccccc7C(=O)C6C=C5)nn4)[C@H](O)[C@H]3O)c2n1Aglycone:
COP(=O)(O)OP(=O)(O)OCc1cn(CCCCC(=O)NC2=CC3C(=O)c4ccccc4C(=O)C3C=C2)nn1.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 15 |
| MolWt: | 831.63 | Num_heavy_atoms: | 57 |
| TPSA: | 335.78 | NumAromaticRings: | 4 |
Unique Aglycone
AD00080
Formula: C5H4ON5
Smiles:
Nc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
AD14292
Formula: C23H26O10N4P2
Smiles:
COP(=O)(O)OP(=O)(O)OCc1cn(CCCCC(=O)NC2=CC3C(=O)c4ccccc4C(=O)C3C=C2)nn1| HBA: | 14 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 12 |
| MolWt: | 580.43 | Num_heavy_atoms: | 39 |
| TPSA: | 196.24 | NumAromaticRings: | 2 |
