Glycoside
GD086866
Name:
NoneFormula:
C12H24O11N2S2Smiles:
O=C(CN1CCS(=O)(=O)CC1)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
COS(O)(O)O.NC(=O)CN1CCS(=O)(=O)CC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | -3.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 436.46 | Num_heavy_atoms: | 27 |
| TPSA: | 206.32 | 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 |
AD30813
Formula: C6H12O3N2S
Smiles:
NC(=O)CN1CCS(=O)(=O)CC1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 192.24 | Num_heavy_atoms: | 12 |
| TPSA: | 80.47 | NumAromaticRings: | 0 |
