Glycoside
GD011894
Name:
[4,5-bis(acetyloxy)-6-{[3-(acetyloxy)-2-[2-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-4-hydroxyphenoxy]-5-hydroxy-6-methyloxan-4-yl]oxy}-3-hydroxyoxan-2-yl]methyl acetateFormula:
C35H40O19Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@H]2[C@H](OC(C)=O)[C@@H](Oc3ccc(O)cc3[C@@H]3CC(=O)c4c(O)cc(O)cc4O3)O[C@@H](C)[C@H]2O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OAglycone:
COC(C)=O.O=C1CC(c2cc(O)ccc2O)Oc2cc(O)cc(O)c21Sugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OC1OC(O)C(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.51 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 10 |
| MolWt: | 764.69 | Num_heavy_atoms: | 54 |
| TPSA: | 269.57 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD08896
Formula: C15H12O6
Smiles:
O=C1CC(c2cc(O)ccc2O)Oc2cc(O)cc(O)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.26 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
