Glycoside
GD064855
Name:
NoneFormula:
C14H22O7N2SSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)Cc2cccnc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(Cc1cccnc1)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 362.4 | Num_heavy_atoms: | 24 |
| TPSA: | 138.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD31210
Formula: C8H12O3N2S
Smiles:
O=S(=O)(Cc1cccnc1)NCCO| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 216.26 | Num_heavy_atoms: | 14 |
| TPSA: | 79.29 | NumAromaticRings: | 1 |
