Glycoside
GD011722
Name:
CIBOTIGLYCEROLFormula:
C27H47O11SSmiles:
CCCCCCCCC=CCCCCCC=CC(=O)OC[C@H](O)CO[C@@H]1O[C@H](CS(=O)(=O)[O-])[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCC=CCCCCCC=CC(=O)OCC(O)CO.CS(=O)(=O)[O-]Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 21 |
| MolWt: | 579.73 | Num_heavy_atoms: | 39 |
| TPSA: | 182.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD00413
Formula: CH3O3S
Smiles:
CS(=O)(=O)[O-]| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 0 |
| MolWt: | 95.1 | Num_heavy_atoms: | 5 |
| TPSA: | 57.2 | NumAromaticRings: | 0 |
AD02340
Formula: C21H38O4
Smiles:
CCCCCCCCC=CCCCCCC=CC(=O)OCC(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 4.7 | Num_rotatable_bonds: | 17 |
| MolWt: | 354.53 | Num_heavy_atoms: | 25 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
