Glycoside
GD001939
Name:
NoneFormula:
C21H36O12N6P2Smiles:
CCCCCCNc1ncnc2c1ncn2C1O[C@H](COP(=O)(O)OP(=O)(O)OCC2NC[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
CCCCCCNc1ncnc2c1N=C[N]2.COP(=O)(O)OP(=O)(O)OCC1NCC(O)C1OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.76 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 15 |
| MolWt: | 626.5 | Num_heavy_atoms: | 41 |
| TPSA: | 260.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD01887
Formula: C11H16N5
Smiles:
CCCCCCNc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 218.28 | Num_heavy_atoms: | 16 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD01888
Formula: C6H15O9NP2
Smiles:
COP(=O)(O)OP(=O)(O)OCC1NCC(O)C1O| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 307.13 | Num_heavy_atoms: | 18 |
| TPSA: | 154.78 | NumAromaticRings: | 0 |
