Glycoside
GD034049
Name:
NoneFormula:
C21H38O12SSmiles:
CCCCCC(=O)OCC(COC(=O)CCCCC)O[C@@H]1O[C@H](CS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCC(=O)OCC(O)COC(=O)CCCCC.CS(=O)(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 16 |
| MolWt: | 514.59 | Num_heavy_atoms: | 34 |
| TPSA: | 186.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD00013
Formula: CH4O3S
Smiles:
CS(=O)(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.11 | Num_heavy_atoms: | 5 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
AD00414
Formula: C15H28O5
Smiles:
CCCCCC(=O)OCC(O)COC(=O)CCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 12 |
| MolWt: | 288.38 | Num_heavy_atoms: | 20 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
