Glycoside
GD003573
Name:
NoneFormula:
C9H13O8N2PSSmiles:
NC(=O)c1csc([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)n1Aglycone:
COP(=O)(O)O.NC(=O)c1cscn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 340.25 | Num_heavy_atoms: | 21 |
| TPSA: | 172.43 | NumAromaticRings: | 1 |
Unique Aglycone
AD00051
Formula: C4H4ON2S
Smiles:
NC(=O)c1cscn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 128.16 | Num_heavy_atoms: | 8 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
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 |
