Glycoside
GD118649
Name:
Dichotomoside AFormula:
C26H32O13Smiles:
COc1cc(CCC(=O)O)cc(-c2cc(CCC(=O)O)cc(OC)c2OC2OC(CO)C(O)C(O)C2O)c1OAglycone:
COc1cc(CCC(=O)O)cc(-c2cc(CCC(=O)O)cc(OC)c2O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 12 |
| MolWt: | 552.53 | Num_heavy_atoms: | 39 |
| TPSA: | 212.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD47460
Formula: C20H22O8
Smiles:
COc1cc(CCC(=O)O)cc(-c2cc(CCC(=O)O)cc(OC)c2O)c1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 9 |
| MolWt: | 390.39 | Num_heavy_atoms: | 28 |
| TPSA: | 133.52 | NumAromaticRings: | 2 |
