Glycoside
GD036941
Name:
NoneFormula:
C18H26O9N5P2ClSmiles:
CN(c1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@H](O)[C@H]1O)C1CCCC1Aglycone:
CN(c1nc(Cl)nc2c1N=C[N]2)C1CCCC1.COP(=O)(O)CP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 541.82 | Num_heavy_atoms: | 34 |
| TPSA: | 200.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD02310
Formula: C2H8O6P2
Smiles:
COP(=O)(O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.03 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
AD23291
Formula: C12H13N5Cl
Smiles:
CN(c1nc(Cl)nc2c1N=C[N]2)C1CCCC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.55 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 250.71 | Num_heavy_atoms: | 17 |
| TPSA: | 55.48 | NumAromaticRings: | 1 |
