Glycoside
GD027720
Name:
NoneFormula:
C13H19O13N2P3Smiles:
Cn1c([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)nc2ccccc21Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Cn1cnc2ccccc21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 504.22 | Num_heavy_atoms: | 31 |
| TPSA: | 227.33 | 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 |
AD18189
Formula: C8H8N2
Smiles:
Cn1cnc2ccccc21| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 132.17 | Num_heavy_atoms: | 10 |
| TPSA: | 17.82 | NumAromaticRings: | 2 |
