Glycoside
GD132786
Name:
4,5-bis(acetyloxy)-6-[(6-{[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]oxan-3-yl acetateFormula:
C32H34O19Smiles:
CC(=O)OC1COC(OCC2OC(Oc3cc(O)cc4oc(-c5ccc(O)c(O)c5)c(O)c(=O)c34)C(O)C(O)C2O)C(OC(C)=O)C1OC(C)=OAglycone:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC(=O)OC1COC(OCC2OC(O)C(O)C(O)C2O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 722.61 | Num_heavy_atoms: | 51 |
| TPSA: | 287.64 | NumAromaticRings: | 3 |
Unique Aglycone
AD00377
Formula: C15H10O7
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(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 |
