Glycoside
GD088509
Name:
NoneFormula:
C17H27O8N3SSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc(N3CCOCC3)nc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(NCCO)c1ccc(N2CCOCC2)nc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 433.48 | Num_heavy_atoms: | 29 |
| TPSA: | 150.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD38718
Formula: C11H17O4N3S
Smiles:
O=S(=O)(NCCO)c1ccc(N2CCOCC2)nc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 287.34 | Num_heavy_atoms: | 19 |
| TPSA: | 91.76 | NumAromaticRings: | 1 |
