Glycoside
GD034282
Name:
Mearnsetin 3-O-(4''-O-Acetyl)-Alpha-L-RhamnopyranosideFormula:
C24H24O13Smiles:
COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]2O)cc1OAglycone:
COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1OSugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 520.44 | Num_heavy_atoms: | 37 |
| TPSA: | 205.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD09774
Formula: C16H12O8
Smiles:
COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
