Glycoside
GD002453
Name:
NoneFormula:
C39H70O18Smiles:
CCCCC[C@H](O)CCCCCCCCCC(=O)O[C@@H]1[C@H](O[C@@H]2C(O)O[C@H](CO)[C@H](O)[C@H]2O)O[C@H](C)[C@H](OC(=O)[C@H](C)[C@H](C)O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(O)C(C)C(=O)O.CCCCCC(O)CCCCCCCCCC(=O)OSugarmoiety:
CC1OC(OC2C(O)C(C)OC(OC3C(O)OC(CO)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 23 |
| MolWt: | 826.97 | Num_heavy_atoms: | 57 |
| TPSA: | 280.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD02264
Formula: C5H10O3
Smiles:
CC(O)C(C)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.13 | Num_heavy_atoms: | 8 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD02342
Formula: C16H32O3
Smiles:
CCCCCC(O)CCCCCCCCCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 14 |
| MolWt: | 272.43 | Num_heavy_atoms: | 19 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
