Glycoside
GD158031
Name:
1-{3-methoxy-4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]phenyl}ethan-1-oneFormula:
C21H30O12Smiles:
COc1cc(C(C)=O)ccc1OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COc1cc(C(C)=O)ccc1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 474.46 | Num_heavy_atoms: | 33 |
| TPSA: | 184.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD01258
Formula: C9H10O3
Smiles:
COc1cc(C(C)=O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
