Glycoside
GD073396
Name:
NoneFormula:
C17H25O6N3SSmiles:
O=C(C(=O)N1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1)[C@H](O)[C@H](O)[C@H](O)COAglycone:
c1csc(CN2CCC3CNCCC32)n1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 399.47 | Num_heavy_atoms: | 27 |
| TPSA: | 134.43 | NumAromaticRings: | 1 |
Unique Aglycone
AD34035
Formula: C11H17N3S
Smiles:
c1csc(CN2CCC3CNCCC32)n1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 223.34 | Num_heavy_atoms: | 15 |
| TPSA: | 28.16 | NumAromaticRings: | 1 |
