Glycoside
GD148925
Name:
7-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-2H-chromen-2-oneFormula:
C20H24O12Smiles:
O=c1ccc2ccc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc2o1Aglycone:
O=c1ccc2ccc(O)cc2o1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 456.4 | Num_heavy_atoms: | 32 |
| TPSA: | 188.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD07479
Formula: C9H6O3
Smiles:
O=c1ccc2ccc(O)cc2o1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.14 | Num_heavy_atoms: | 12 |
| TPSA: | 50.44 | NumAromaticRings: | 2 |
