Glycoside
GD019902
Name:
NoneFormula:
C34H50O11Smiles:
CC(C)=CCC(O)[C@@](C)(O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CCc4cc(O)c(OC5OC(CO)C(O)C(O)C5O)cc4[C@@]3(C)C(=O)C[C@]12CAglycone:
CC(C)=CCC(O)C(C)(O)C1C(O)CC2(C)C3CCc4cc(O)c(O)cc4C3(C)C(=O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.74 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 634.76 | Num_heavy_atoms: | 45 |
| TPSA: | 197.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD13819
Formula: C28H40O6
Smiles:
CC(C)=CCC(O)C(C)(O)C1C(O)CC2(C)C3CCc4cc(O)c(O)cc4C3(C)C(=O)CC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 472.62 | Num_heavy_atoms: | 34 |
| TPSA: | 118.22 | NumAromaticRings: | 1 |
