Glycoside
GD149145
Name:
1-(2-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl)-3-(4-hydroxyphenyl)propan-1-oneFormula:
C27H34O14Smiles:
CC1OC(Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c2C(=O)CCc2ccc(O)cc2)C(O)C(O)C1OAglycone:
O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 9 |
| MolWt: | 582.56 | Num_heavy_atoms: | 41 |
| TPSA: | 236.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD01456
Formula: C15H14O5
Smiles:
O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
