Glycoside
GD157693
Name:
2-(3-benzoyl-2,4,6-trihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C25H30O16Smiles:
O=C(c1ccccc1)c1c(O)c(OC2OC(CO)C(O)C(O)C2O)c(O)c(OC2OC(CO)C(O)C(O)C2O)c1OAglycone:
O=C(c1ccccc1)c1c(O)c(O)c(O)c(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.48 |
| AlogP: | -3.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 586.5 | Num_heavy_atoms: | 41 |
| TPSA: | 276.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD62322
Formula: C13H10O6
Smiles:
O=C(c1ccccc1)c1c(O)c(O)c(O)c(O)c1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.22 | Num_heavy_atoms: | 19 |
| TPSA: | 118.22 | NumAromaticRings: | 2 |
