Glycoside
GD145224
Name:
(2-{[3-(benzoyloxy)-6-[(benzoyloxy)methyl]-4,5-dihydroxyoxan-2-yl]oxy}-5-hydroxyphenyl)methyl 2-hydroxybenzoateFormula:
C34H30O12Smiles:
O=C(OCC1OC(Oc2ccc(O)cc2COC(=O)c2ccccc2O)C(OC(=O)c2ccccc2)C(O)C1O)c1ccccc1Aglycone:
COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(OCc1cc(O)ccc1O)c1ccccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 10 |
| MolWt: | 630.6 | Num_heavy_atoms: | 46 |
| TPSA: | 178.28 | NumAromaticRings: | 4 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD00706
Formula: C14H12O5
Smiles:
O=C(OCc1cc(O)ccc1O)c1ccccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 260.25 | Num_heavy_atoms: | 19 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
