Glycoside
GD029650
Name:
NoneFormula:
C9H13O9N2PSmiles:
O=[N+]([O-])c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)c1Aglycone:
COP(=O)(O)O.O=[N+]([O-])c1cc[nH]c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 324.18 | Num_heavy_atoms: | 21 |
| TPSA: | 164.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD19269
Formula: C4H4O2N2
Smiles:
O=[N+]([O-])c1cc[nH]c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 58.93 | NumAromaticRings: | 1 |
