Glycoside
GD152504
Name:
LittoralosideFormula:
C32H40O17Smiles:
CC(OC1OC(CO)C(O)C(O)C1O)C(C)C(=O)OCc1cc(O)c2c(c1)C(O)(C1OC(CO)C(O)C(O)C1O)c1cccc(O)c1C2=OAglycone:
CC(O)C(C)C(=O)OCc1cc(O)c2c(c1)C(O)c1cccc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.56 |
| AlogP: | -3.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 696.66 | Num_heavy_atoms: | 49 |
| TPSA: | 293.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD48379
Formula: C20H20O7
Smiles:
CC(O)C(C)C(=O)OCc1cc(O)c2c(c1)C(O)c1cccc(O)c1C2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 372.37 | Num_heavy_atoms: | 27 |
| TPSA: | 124.29 | NumAromaticRings: | 2 |
