Glycoside
GD006720
Name:
NoneFormula:
C11H17O12N2PSSmiles:
COc1cn([C@@H]2O[C@H](COP(=O)(O)CS(=O)(=O)O)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
COP(=O)(O)CS(=O)(=O)O.COc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -2.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 432.3 | Num_heavy_atoms: | 27 |
| TPSA: | 214.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD01835
Formula: C5H6O3N2
Smiles:
COc1c[nH]c(=O)[nH]c1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.11 | Num_heavy_atoms: | 10 |
| TPSA: | 74.95 | NumAromaticRings: | 1 |
AD03482
Formula: C2H7O6PS
Smiles:
COP(=O)(O)CS(=O)(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.11 | Num_heavy_atoms: | 10 |
| TPSA: | 100.9 | NumAromaticRings: | 0 |
