Glycoside
GD120581
Name:
2-{[3-(3,4-dihydroxyphenyl)-6,8-dihydroxy-9-oxo-4,9-dihydro-1H-xanthen-2-yl]oxy}-3,5-dihydroxyoxan-4-yl acetateFormula:
C26H24O12Smiles:
CC(=O)OC1C(O)COC(OC2=C(c3ccc(O)c(O)c3)Cc3oc4cc(O)cc(O)c4c(=O)c3C2)C1OAglycone:
O=c1c2c(oc3cc(O)cc(O)c13)CC(c1ccc(O)c(O)c1)=C(O)C2Sugarmoiety:
CC(=O)OC1C(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 528.47 | Num_heavy_atoms: | 38 |
| TPSA: | 196.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD48462
Formula: C19H14O7
Smiles:
O=c1c2c(oc3cc(O)cc(O)c13)CC(c1ccc(O)c(O)c1)=C(O)C2| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.11 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 1 |
| MolWt: | 354.31 | Num_heavy_atoms: | 26 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
