Glycoside
GD123452
Name:
6,8-Di-C-GlucopyranosyldiosmetinFormula:
C28H32O16Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(C4OC(CO)C(O)C(O)C4O)c(O)c(C4OC(CO)C(O)C(O)C4O)c3o2)cc1OAglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.46 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 624.55 | Num_heavy_atoms: | 44 |
| TPSA: | 280.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD04393
Formula: C16H12O6
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
