Glycoside
GD012199
Name:
NoneFormula:
C23H33O15N6P3Smiles:
O=C(NCCCCCNc1ncnc2c1ncn2C1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1O)OCc1ccccc1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.O=C(NCCCCCNc1ncnc2c1N=C[N]2)OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 17 |
| MolWt: | 726.47 | Num_heavy_atoms: | 47 |
| TPSA: | 303.47 | NumAromaticRings: | 3 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD09212
Formula: C18H21O2N6
Smiles:
O=C(NCCCCCNc1ncnc2c1N=C[N]2)OCc1ccccc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 9 |
| MolWt: | 353.41 | Num_heavy_atoms: | 26 |
| TPSA: | 102.6 | NumAromaticRings: | 2 |
