Glycoside
GD040171
Name:
2-o-sulfo-alpha-d-glucopyranosyl 2-o-hexadecanoyl-3-o-[(2e,4s,6s,8s)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha-d-glucopyranosideFormula:
C56H104O16SSmiles:
CCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C[C@H](C)C=C(C)C(=O)O[C@H]1[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2OS(=O)(=O)O)O[C@H](CO)[C@@H]1OAglycone:
CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCC(C)CC(C)CC(C)C=C(C)C(=O)O.O=S(=O)(O)OSugarmoiety:
OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 10.52 | Num_rotatable_bonds: | 43 |
| MolWt: | 1065.5 | Num_heavy_atoms: | 73 |
| TPSA: | 245.04 | 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 |
AD00263
Formula: C16H32O2
Smiles:
CCCCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 14 |
| MolWt: | 256.43 | Num_heavy_atoms: | 18 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD24687
Formula: C28H54O2
Smiles:
CCCCCCCCCCCCCCCCC(C)CC(C)CC(C)C=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 9.58 | Num_rotatable_bonds: | 21 |
| MolWt: | 422.74 | Num_heavy_atoms: | 30 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
