Glycoside
GD032332
Name:
NoneFormula:
C27H28O12Smiles:
CC(=O)OC1c2cc(C)cc(O)c2C(=O)c2c(O)cc(O[C@@H]3O[C@H](C)[C@H](O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc21Aglycone:
CC(=O)OC1c2cc(C)cc(O)c2C(=O)c2c(O)cc(O)cc21Sugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 544.51 | Num_heavy_atoms: | 39 |
| TPSA: | 175.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD20746
Formula: C17H14O6
Smiles:
CC(=O)OC1c2cc(C)cc(O)c2C(=O)c2c(O)cc(O)cc21| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 104.06 | NumAromaticRings: | 2 |
