Glycoside
GD145098
Name:
7-(4,5-dihydroxy-6-methyloxan-2-yl)-8-hydroxy-6-methoxy-3-{4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}-1,4-dihydronaphthalen-1-oneFormula:
C29H34O11Smiles:
COc1cc2c(c(O)c1C1CC(O)C(O)C(C)O1)C(=O)C=C(c1ccc(C3OC(CO)C(O)C(O)C3O)cc1)C2Aglycone:
COc1cc2c(c(O)c1C1CC(O)C(O)C(C)O1)C(=O)C=C(c1ccccc1)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 558.58 | Num_heavy_atoms: | 40 |
| TPSA: | 186.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD58265
Formula: C23H24O6
Smiles:
COc1cc2c(c(O)c1C1CC(O)C(O)C(C)O1)C(=O)C=C(c1ccccc1)C2| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 396.44 | Num_heavy_atoms: | 29 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
