Glycoside
GD127081
Name:
1-(2-hydroxy-4-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)propan-1-oneFormula:
C22H26O10Smiles:
COc1cc(O)c(C(=O)CCc2ccc(O)cc2)cc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(O)c(C(=O)CCc2ccc(O)cc2)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 450.44 | Num_heavy_atoms: | 32 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD51445
Formula: C16H16O5
Smiles:
COc1cc(O)c(C(=O)CCc2ccc(O)cc2)cc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.3 | Num_heavy_atoms: | 21 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
