Glycoside
GD124414
Name:
NoneFormula:
C17H26O6N4SSmiles:
C[S+]([O])(=O)NCC1OC(CC(=O)N2CCN(c3ccccn3)CC2)C(O)C1OAglycone:
CC(=O)N1CCN(c2ccccn2)CC1.CN[S+](C)(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.48 | Num_heavy_atoms: | 28 |
| TPSA: | 135.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD36294
Formula: C11H15ON3
Smiles:
CC(=O)N1CCN(c2ccccn2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.45 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 205.26 | Num_heavy_atoms: | 15 |
| TPSA: | 36.44 | NumAromaticRings: | 1 |
AD50257
Formula: C2H8O2NS
Smiles:
CN[S+](C)(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.16 | Num_heavy_atoms: | 6 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
