Glycoside
GD015838
Name:
NoneFormula:
C21H36O20N2S4Smiles:
CCN(CC(=O)NC[C@@H]1O[C@H](OC)[C@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-])C(=O)CCCCCCCCCOS(=O)(=O)[O-]Aglycone:
CCN(CC(=O)NC)C(=O)CCCCCCCCCOS(=O)(=O)[O-].O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])OSugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 23 |
| MolWt: | 764.78 | Num_heavy_atoms: | 47 |
| TPSA: | 333.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD00426
Formula: HO4S
Smiles:
O=S(=O)([O-])O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.07 | Num_heavy_atoms: | 5 |
| TPSA: | 77.43 | NumAromaticRings: | 0 |
AD11463
Formula: C15H29O6N2S
Smiles:
CCN(CC(=O)NC)C(=O)CCCCCCCCCOS(=O)(=O)[O-]| HBA: | 8 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 14 |
| MolWt: | 365.47 | Num_heavy_atoms: | 24 |
| TPSA: | 115.84 | NumAromaticRings: | 0 |
