Glycoside
GD022061
Name:
NoneFormula:
C32H39O12N9P2Smiles:
Nc1nc(O)c2ncn(C3O[C@H](COP(=O)(O)OP(=O)(O)OCc4cn(CCCCC(=O)NC(Cc5ccccc5)c5ccccc5)nn4)[C@H](O)[C@H]3O)c2n1Aglycone:
COP(=O)(O)OP(=O)(O)OCc1cn(CCCCC(=O)NC(Cc2ccccc2)c2ccccc2)nn1.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 18 |
| MolWt: | 803.66 | Num_heavy_atoms: | 55 |
| TPSA: | 301.64 | NumAromaticRings: | 5 |
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 |
AD15000
Formula: C23H30O8N4P2
Smiles:
COP(=O)(O)OP(=O)(O)OCc1cn(CCCCC(=O)NC(Cc2ccccc2)c2ccccc2)nn1| HBA: | 12 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 15 |
| MolWt: | 552.46 | Num_heavy_atoms: | 37 |
| TPSA: | 162.1 | NumAromaticRings: | 3 |
