Glycoside
GD133501
Name:
4,5-bis(acetyloxy)-6-[4-(3,5,7,8-tetrahydroxy-4-oxo-4H-chromen-2-yl)phenoxy]oxan-3-yl acetateFormula:
C26H24O14Smiles:
CC(=O)OC1COC(Oc2ccc(-c3oc4c(O)c(O)cc(O)c4c(=O)c3O)cc2)C(OC(C)=O)C1OC(C)=OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 560.46 | Num_heavy_atoms: | 40 |
| TPSA: | 208.49 | 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 |
