Glycoside
GD125213
Name:
4-(acetyloxy)-2-(1,2-dihydroxyethyl)-5-{[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]oxy}oxolan-3-yl acetateFormula:
C25H24O14Smiles:
CC(=O)OC1C(Oc2c(O)cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc23)OC(C(O)CO)C1OC(C)=OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12Sugarmoiety:
CC(=O)OC1C(O)OC(C(O)CO)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 548.45 | Num_heavy_atoms: | 39 |
| TPSA: | 222.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD03890
Formula: C15H10O7
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
