Glycoside
GD008381
Name:
NoneFormula:
C16H28O16N2P2SSmiles:
CSC1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)C(=O)N1Aglycone:
COP(=O)(O)OP(=O)(O)O.CSC1C=CNC(=O)N1Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.81 |
| AlogP: | -3.29 | Num_rotatable_bonds: | 10 |
| MolWt: | 598.41 | Num_heavy_atoms: | 37 |
| TPSA: | 274.47 | NumAromaticRings: | 0 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD06695
Formula: C5H8ON2S
Smiles:
CSC1C=CNC(=O)N1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 144.2 | Num_heavy_atoms: | 9 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
