Glycoside
GD070911
Name:
NoneFormula:
C12H22O9N3PSmiles:
CCOC(=O)c1nc(C)n([C@@H]2O[C@H](CO[PH](O)(O)O)[C@@H](O)[C@H]2O)c1NAglycone:
CCOC(=O)C1=C(N)[N]C(C)=N1.CO[PH](O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 383.29 | Num_heavy_atoms: | 25 |
| TPSA: | 189.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD01852
Formula: CH7O4P
Smiles:
CO[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.04 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD33530
Formula: C7H10O2N3
Smiles:
CCOC(=O)C1=C(N)[N]C(C)=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.18 | Num_heavy_atoms: | 12 |
| TPSA: | 78.78 | NumAromaticRings: | 0 |
