Glycoside
GD016745
Name:
GRACILARIOSIDEFormula:
C49H93O10NSmiles:
CCCCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)N[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CC=CCCCCC1CC1CCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CC=CCCCCC1CC1CCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | 8.31 | Num_rotatable_bonds: | 40 |
| MolWt: | 856.28 | Num_heavy_atoms: | 60 |
| TPSA: | 189.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD12018
Formula: C43H83O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CC=CCCCCC1CC1CCCC| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 10.48 | Num_rotatable_bonds: | 37 |
| MolWt: | 694.14 | Num_heavy_atoms: | 49 |
| TPSA: | 110.02 | NumAromaticRings: | 0 |
