Glycoside
GD125103
Name:
1-(4-{[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]methyl}-1-hydroxy-8-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]naphthalen-2-yl)ethan-1-oneFormula:
C30H40O17Smiles:
CC(=O)c1cc(COC2OCC(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c2cccc(OC3OC(C)C(O)C(O)C3O)c2c1OAglycone:
CC(=O)c1cc(CO)c2cccc(O)c2c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.63 |
| AlogP: | -3.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 672.63 | Num_heavy_atoms: | 47 |
| TPSA: | 274.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD50590
Formula: C13H12O4
Smiles:
CC(=O)c1cc(CO)c2cccc(O)c2c1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 232.23 | Num_heavy_atoms: | 17 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
