Glycoside
GD008363
Name:
NoneFormula:
C31H32O13Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[C@@H]1C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C)O1Aglycone:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OSugarmoiety:
CC(=O)OC1CC(O)OC(C)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 612.58 | Num_heavy_atoms: | 44 |
| TPSA: | 192.19 | 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 |
