Glycoside

GD146116
Name:
Dulcisxanthone AFormula:
C41H44O21Smiles:
CC(=O)Oc1ccc(-c2coc3cc(O)c(C4OC(COC5OC(C)C(OC(C)=O)C(OC(C)=O)C5OC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)c(O)c3c2=O)cc1Aglycone:
CC(=O)Oc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1Sugarmoiety:
CC(=O)OC1C(C)OC(OCC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 21 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.46 |
AlogP: | 2.59 | Num_rotatable_bonds: | 12 |
MolWt: | 872.78 | Num_heavy_atoms: | 62 |
TPSA: | 282.46 | NumAromaticRings: | 3 |
Unique Aglycone
AD55094
Formula: C17H12O6
Smiles:
CC(=O)Oc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1HBA: | 6 | RingCount: | 3 |
HBD: | 2 | FractionCSP3: | 0.06 |
AlogP: | 2.8 | Num_rotatable_bonds: | 2 |
MolWt: | 312.28 | Num_heavy_atoms: | 23 |
TPSA: | 96.97 | NumAromaticRings: | 3 |