Glycoside
GD009638
Name:
NoneFormula:
C24H33O17N2S3Smiles:
CO[C@@H]1O[C@H](COCC(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2)[C@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-]Aglycone:
COCC(=O)N(CC(=O)NC1CCCCC1)Cc1ccccc1.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: | 19 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 16 |
| MolWt: | 717.73 | Num_heavy_atoms: | 46 |
| TPSA: | 276.39 | NumAromaticRings: | 1 |
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 |
AD04784
Formula: C18H26O3N2
Smiles:
COCC(=O)N(CC(=O)NC1CCCCC1)Cc1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 318.42 | Num_heavy_atoms: | 23 |
| TPSA: | 58.64 | NumAromaticRings: | 1 |
