Glycoside
GD131304
Name:
1-[2-hydroxy-4,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phenyl]-3-methylbutan-1-oneFormula:
C23H34O14Smiles:
CC(C)CC(=O)c1c(O)cc(OC2OC(CO)C(O)C(O)C2O)cc1OC1OC(CO)C(O)C(O)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: | 9 | FractionCSP3: | 0.7 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 9 |
| MolWt: | 534.51 | Num_heavy_atoms: | 37 |
| TPSA: | 236.06 | 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 |
