Glycoside
GD073429
Name:
NoneFormula:
C15H26O8N2SSmiles:
CCN1C[C@H]2CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC[C@H]2S1(=O)=OAglycone:
CCN1CC2CCNCCC2S1(=O)=OSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | -3.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 394.45 | Num_heavy_atoms: | 26 |
| TPSA: | 155.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD34045
Formula: C9H18O2N2S
Smiles:
CCN1CC2CCNCCC2S1(=O)=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 218.32 | Num_heavy_atoms: | 14 |
| TPSA: | 49.41 | NumAromaticRings: | 0 |
