Glycoside
GD001974
Name:
NoneFormula:
C13H18O14NP3SSmiles:
COc1cccc2sc([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3O)nc12Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.COc1cccc2scnc12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 9 |
| MolWt: | 537.27 | Num_heavy_atoms: | 32 |
| TPSA: | 231.63 | 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 |
AD01921
Formula: C8H7ONS
Smiles:
COc1cccc2scnc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 165.22 | Num_heavy_atoms: | 11 |
| TPSA: | 22.12 | NumAromaticRings: | 2 |
