Glycoside
GD030563
Name:
NoneFormula:
C19H22O9N5P2ClSmiles:
O=P(O)(O)CP(=O)(O)OC[C@@H]1O[C@H](n2ncc3c(NCc4ccccc4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)CP(=O)(O)O.Clc1nc2c(c(NCc3ccccc3)n1)C=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 549.8 | Num_heavy_atoms: | 35 |
| TPSA: | 209.38 | NumAromaticRings: | 3 |
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 |
AD19771
Formula: C13H9N5Cl
Smiles:
Clc1nc2c(c(NCc3ccccc3)n1)C=N[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 258.69 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
