Glycoside
GD122162
Name:
Halymecin FFormula:
C50H88O20Smiles:
CCCCCC(CC(CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(CC(=O)OC(CCCCC)CC(O)CC(=O)O)OC(C)=O)OC1OC(CO)C(O)C(O)C1O)OC(C)=OAglycone:
CCCCCC(CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(CC(=O)OC(CCCCC)CC(O)CC(=O)O)OC(C)=O)OC(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 5.02 | Num_rotatable_bonds: | 40 |
| MolWt: | 1009.23 | Num_heavy_atoms: | 70 |
| TPSA: | 308.64 | NumAromaticRings: | 0 |
Unique Aglycone
AD49210
Formula: C44H78O15
Smiles:
CCCCCC(CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(CC(=O)OC(CCCCC)CC(O)CC(=O)O)OC(C)=O)OC(C)=O| HBA: | 15 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 7.19 | Num_rotatable_bonds: | 37 |
| MolWt: | 847.09 | Num_heavy_atoms: | 59 |
| TPSA: | 229.49 | NumAromaticRings: | 0 |
