Glycoside
GD141622
Name:
1-{2,4-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl}ethan-1-oneFormula:
C20H28O14Smiles:
CC(=O)c1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c(C2OC(CO)C(O)C(O)C2O)c1OAglycone:
CC(=O)c1c(O)cc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.65 |
| AlogP: | -4.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 492.43 | Num_heavy_atoms: | 34 |
| TPSA: | 247.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD05020
Formula: C8H8O4
Smiles:
CC(=O)c1c(O)cc(O)cc1O| 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 |
