Glycoside
GD097144
Name:
NoneFormula:
C18H29O12NSSmiles:
CCOCCS(=O)(=O)N[C@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
CCOCCS(N)(=O)=O.COC(C)=OSugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 11 |
| MolWt: | 483.49 | Num_heavy_atoms: | 32 |
| TPSA: | 169.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD25474
Formula: C4H11O3NS
Smiles:
CCOCCS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 153.2 | Num_heavy_atoms: | 9 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
