Glycoside
GD130961
Name:
NoneFormula:
C11H18O8N2PSmiles:
[NH3+]C(=O)C1=CC=CN(C2OC(COP(=O)(O)O)C(O)C2O)C1Aglycone:
COP(=O)(O)O.[NH3+]C(=O)C1=CC=CNC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -2.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 337.25 | Num_heavy_atoms: | 22 |
| TPSA: | 164.4 | NumAromaticRings: | 0 |
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 |
AD48935
Formula: C6H9ON2
Smiles:
[NH3+]C(=O)C1=CC=CNC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.15 | Num_heavy_atoms: | 9 |
| TPSA: | 56.74 | NumAromaticRings: | 0 |
