Glycoside
GD064052
Name:
NoneFormula:
C13H22O7N2SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2CSCC(=O)N2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C1CSCC(C(=O)NCCO)N1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | -2.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 350.39 | Num_heavy_atoms: | 23 |
| TPSA: | 137.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD30811
Formula: C7H12O3N2S
Smiles:
O=C1CSCC(C(=O)NCCO)N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 204.25 | Num_heavy_atoms: | 13 |
| TPSA: | 78.43 | NumAromaticRings: | 0 |
