Glycoside
GD019107
Name:
NoneFormula:
C36H66O9Smiles:
CCCCCCCCCCCO[C@H]1[C@H](O)[C@@H](OCCCCCCCCCCCC[C@H](O)CC2=C[C@H](C)OC2=O)O[C@@H](CO)[C@H]1OAglycone:
CC1C=C(CC(O)CCCCCCCCCCCCO)C(=O)O1.CCCCCCCCCCCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 6.27 | Num_rotatable_bonds: | 28 |
| MolWt: | 642.92 | Num_heavy_atoms: | 45 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD04128
Formula: C11H24O
Smiles:
CCCCCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 3.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 172.31 | Num_heavy_atoms: | 12 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD09252
Formula: C19H34O4
Smiles:
CC1C=C(CC(O)CCCCCCCCCCCCO)C(=O)O1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 14 |
| MolWt: | 326.48 | Num_heavy_atoms: | 23 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
