Glycoside
GD141181
Name:
NoneFormula:
C29H30O14Smiles:
CC(OC(=O)C=Cc1ccc(O)cc1)C1=CC2(C=CC3C(C(=O)O)=COC(OC4OC(CO)C(O)C(O)C4O)C32)OC1=OAglycone:
CC(OC(=O)C=Cc1ccc(O)cc1)C1=CC2(C=CC3C(C(=O)O)=COC(O)C32)OC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 602.55 | Num_heavy_atoms: | 43 |
| TPSA: | 218.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD46561
Formula: C23H20O9
Smiles:
CC(OC(=O)C=Cc1ccc(O)cc1)C1=CC2(C=CC3C(C(=O)O)=COC(O)C32)OC1=O| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.4 | Num_heavy_atoms: | 32 |
| TPSA: | 139.59 | NumAromaticRings: | 1 |
