Glycoside
GD108653
Name:
NoneFormula:
C27H28O11Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](O)[C@H](O)[C@H](C)O1Aglycone:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 528.51 | Num_heavy_atoms: | 38 |
| TPSA: | 180.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD01041
Formula: C21H18O8
Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 398.37 | Num_heavy_atoms: | 29 |
| TPSA: | 141.36 | NumAromaticRings: | 2 |
