Glycoside
GD036229
Name:
NoneFormula:
C11H15O11N2P2Smiles:
Cc1cn([C@@H]2O[C@H](COP(=O)([O-])CP(=O)([O-])[O-])[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
COP(=O)([O-])CP(=O)([O-])[O-].Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | -4.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 413.19 | Num_heavy_atoms: | 26 |
| TPSA: | 217.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD00276
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD08501
Formula: C2H5O6P2
Smiles:
COP(=O)([O-])CP(=O)([O-])[O-]| HBA: | 6 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 187.0 | Num_heavy_atoms: | 10 |
| TPSA: | 112.55 | NumAromaticRings: | 0 |
