Glycoside
GD147945
Name:
2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoateFormula:
C28H24O16Smiles:
O=C(OC1C(Oc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)OC(CO)C(O)C1O)c1cc(O)c(O)c(O)c1Aglycone:
O=C(O)c1cc(O)c(O)c(O)c1.O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.21 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 616.48 | Num_heavy_atoms: | 44 |
| TPSA: | 277.27 | NumAromaticRings: | 4 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD10014
Formula: C15H10O7
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)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 |
