Glycoside
GD022126
Name:
NoneFormula:
C15H20O16NP3SSmiles:
CS(=O)(=O)c1ccc2ccn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3O)c(=O)c2c1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.CS(=O)(=O)c1ccc2cc[nH]c(=O)c2c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 595.31 | Num_heavy_atoms: | 36 |
| TPSA: | 265.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD15034
Formula: C10H9O3NS
Smiles:
CS(=O)(=O)c1ccc2cc[nH]c(=O)c2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 223.25 | Num_heavy_atoms: | 15 |
| TPSA: | 67.0 | NumAromaticRings: | 2 |
