Glycoside
GD120720
Name:
3-methyl-1-{2,4,6-trihydroxy-3,5-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}butan-1-oneFormula:
C23H34O14Smiles:
CC(C)CC(=O)c1c(O)c(C2OC(CO)C(O)C(O)C2O)c(O)c(C2OC(CO)C(O)C(O)C2O)c1OAglycone:
CC(C)CC(=O)c1c(O)cc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.7 |
| AlogP: | -2.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 534.51 | Num_heavy_atoms: | 37 |
| TPSA: | 258.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD12620
Formula: C11H14O4
Smiles:
CC(C)CC(=O)c1c(O)cc(O)cc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 210.23 | Num_heavy_atoms: | 15 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
