Glycoside
GD131130
Name:
3Alpha-Angeloyloxy-2-Hydroxy-13-Oxo-14,15-Nor-Ent-Labda-7-En-2-O-Beta-[Fucopyranoside-4'-O-Acetate]Formula:
C31H48O9Smiles:
CC=C(C)C(=O)OC1C(OC2OC(C)C(OC(C)=O)C(O)C2O)CC2(C)C(CCC(C)=O)C(C)=CCC2C1(C)CAglycone:
CC=C(C)C(=O)OC1C(O)CC2(C)C(CCC(C)=O)C(C)=CCC2C1(C)CSugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 564.72 | Num_heavy_atoms: | 40 |
| TPSA: | 128.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD45726
Formula: C23H36O4
Smiles:
CC=C(C)C(=O)OC1C(O)CC2(C)C(CCC(C)=O)C(C)=CCC2C1(C)C| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.74 |
| AlogP: | 4.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 376.54 | Num_heavy_atoms: | 27 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
