Glycoside
GD115657
Name:
1-{2,6-dihydroxy-4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]phenyl}-3-methylbutan-1-oneFormula:
C23H34O13Smiles:
CC(C)CC(=O)c1c(O)cc(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)cc1OAglycone:
CC(C)CC(=O)c1c(O)cc(O)cc1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.7 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 518.51 | Num_heavy_atoms: | 36 |
| TPSA: | 215.83 | 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 |
