Glycoside
GD073604
Name:
NoneFormula:
C16H26O7N2SSmiles:
CSCCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C[C@H]21Aglycone:
CSCCC(=O)N1CCC2CN(C=O)CC21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.46 | Num_heavy_atoms: | 26 |
| TPSA: | 130.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD34095
Formula: C11H18O2N2S
Smiles:
CSCCC(=O)N1CCC2CN(C=O)CC21| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.82 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 242.34 | Num_heavy_atoms: | 16 |
| TPSA: | 40.62 | NumAromaticRings: | 0 |
