Glycoside
GD072149
Name:
NoneFormula:
C12H22O10N2SSmiles:
CN1C(=O)CC[C@H]1C(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
CN1C(=O)CCC1C(N)=O.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | -2.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.38 | Num_heavy_atoms: | 25 |
| TPSA: | 189.25 | NumAromaticRings: | 0 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD26358
Formula: C6H10O2N2
Smiles:
CN1C(=O)CCC1C(N)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.16 | Num_heavy_atoms: | 10 |
| TPSA: | 63.4 | NumAromaticRings: | 0 |
