Glycoside
GD020718
Name:
NoneFormula:
C16H30O13N7P3Smiles:
NCCCCCCNc1nc2c(N)ncnc2n1C1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.NCCCCCCNC1=Nc2c(N)ncnc2[N]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.69 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 15 |
| MolWt: | 621.37 | Num_heavy_atoms: | 39 |
| TPSA: | 317.18 | NumAromaticRings: | 2 |
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 |
AD10746
Formula: C11H18N7
Smiles:
NCCCCCCNC1=Nc2c(N)ncnc2[N]1| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 248.31 | Num_heavy_atoms: | 18 |
| TPSA: | 116.31 | NumAromaticRings: | 1 |
