Glycoside
GD134717
Name:
1-{2-hydroxy-3,6-bis[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]phenyl}ethan-1-oneFormula:
C22H32O10Smiles:
COC1CC(Oc2ccc(OC3CC(OC)C(O)C(C)O3)c(C(C)=O)c2O)OC(C)C1OAglycone:
CC(=O)c1c(O)ccc(O)c1OSugarmoiety:
COC1CC(O)OC(C)C1O.COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 456.49 | Num_heavy_atoms: | 32 |
| TPSA: | 133.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD54495
Formula: C8H8O4
Smiles:
CC(=O)c1c(O)ccc(O)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
