Glycoside
GD137325
Name:
1-[2-hydroxy-4,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phenyl]-2-methylpropan-1-oneFormula:
C22H32O14Smiles:
CC(C)C(=O)c1c(O)cc(OC2OC(CO)C(O)C(O)C2O)cc1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)C(=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: | 0.68 |
| AlogP: | -3.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 520.48 | Num_heavy_atoms: | 36 |
| TPSA: | 236.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD18704
Formula: C10H12O4
Smiles:
CC(C)C(=O)c1c(O)cc(O)cc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
