Glycoside
GD019365
Name:
NoneFormula:
C10H15O9N2PSmiles:
Cn1c(=O)ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)c1=OAglycone:
COP(=O)(O)O.Cn1c(=O)cc[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -2.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 338.21 | Num_heavy_atoms: | 22 |
| TPSA: | 160.45 | 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 |
AD03792
Formula: C5H6O2N2
Smiles:
Cn1c(=O)cc[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 54.86 | NumAromaticRings: | 1 |
