Glycoside
GD116786
Name:
5-hydroxy-2-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-[(3,4,5-trihydroxy-6-{[2-(4-hydroxyphenyl)-7-methoxy-4-oxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl]oxy}oxan-2-yl)methoxy]oxan-3-yl acetateFormula:
C42H54O25Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(=O)c(OC3OC(COC4OC(C)C(OC(C)=O)C(OC5OC(C)C(O)C(O)C5O)C4O)C(O)C(O)C3O)c(-c3ccc(O)cc3)oc2c1Aglycone:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1Sugarmoiety:
CC(=O)OC1C(C)OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.62 |
| AlogP: | -4.19 | Num_rotatable_bonds: | 13 |
| MolWt: | 958.87 | Num_heavy_atoms: | 67 |
| TPSA: | 382.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD01882
Formula: C16H12O6
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
Sugarmoiety
SD04920
CC(=O)OC1C(C)OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O