Glycoside
GD004418
Name:
NoneFormula:
C19H34O20N2S4Smiles:
CO[C@@H]1O[C@H](COCC(=O)N(CCS(=O)(=O)O)CC(=O)NC2CCCCC2)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)OAglycone:
COCC(=O)N(CCS(=O)(=O)O)CC(=O)NC1CCCCC1.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: | 2 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | -2.9 | Num_rotatable_bonds: | 17 |
| MolWt: | 738.74 | Num_heavy_atoms: | 45 |
| TPSA: | 322.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD03862
Formula: C13H24O6N2S
Smiles:
COCC(=O)N(CCS(=O)(=O)O)CC(=O)NC1CCCCC1| HBA: | 8 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 8 |
| MolWt: | 336.41 | Num_heavy_atoms: | 22 |
| TPSA: | 113.01 | NumAromaticRings: | 0 |
