Glycoside
GD006739
Name:
NoneFormula:
C9H13O7N2PS2Smiles:
O=c1ccn([C@@H]2O[C@H](COP(O)(=S)S)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(O)(=S)S.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 356.32 | Num_heavy_atoms: | 21 |
| TPSA: | 134.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD05544
Formula: CH5O2PS2
Smiles:
COP(O)(=S)S| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 144.16 | Num_heavy_atoms: | 6 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
