Glycoside
GD019410
Name:
NoneFormula:
C27H28O11Smiles:
COc1cc(C)cc2c1C(=O)c1c(OC)cc(O[C@@H]3O[C@H](C)[C@H](O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc1C2=OAglycone:
COc1cc(C)cc2c1C(=O)c1c(OC)cc(O)cc1C2=OSugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.41 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 528.51 | Num_heavy_atoms: | 38 |
| TPSA: | 143.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD13552
Formula: C17H14O5
Smiles:
COc1cc(C)cc2c1C(=O)c1c(OC)cc(O)cc1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 72.83 | NumAromaticRings: | 2 |
