Glycoside
GD125167
Name:
NoneFormula:
C41H78O13SSmiles:
CCCCCCCCCCCCCCCC(=O)OCC(COC1OC(COS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC.COS(=O)(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 8.05 | Num_rotatable_bonds: | 37 |
| MolWt: | 811.13 | Num_heavy_atoms: | 55 |
| TPSA: | 195.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.11 | Num_heavy_atoms: | 6 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD01044
Formula: C35H68O5
Smiles:
CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 10.4 | Num_rotatable_bonds: | 32 |
| MolWt: | 568.92 | Num_heavy_atoms: | 40 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
