Glycoside
GD095037
Name:
NoneFormula:
C21H30O9N2SSmiles:
CCN1CC2(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2)COc2ccccc2S1(=O)=OAglycone:
CCN1CC2(CCNCC2)COc2ccccc2S1(=O)=OSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 486.54 | Num_heavy_atoms: | 33 |
| TPSA: | 164.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD40599
Formula: C15H22O3N2S
Smiles:
CCN1CC2(CCNCC2)COc2ccccc2S1(=O)=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 310.42 | Num_heavy_atoms: | 21 |
| TPSA: | 58.64 | NumAromaticRings: | 1 |
