Glycoside
GD135394
Name:
2-(acetyloxy)-5-{5-hydroxy-4-oxo-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-2-yl}phenyl acetateFormula:
C31H34O17Smiles:
CC(=O)Oc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3o2)cc1OC(C)=OAglycone:
CC(=O)Oc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1OC(C)=OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 678.6 | Num_heavy_atoms: | 48 |
| TPSA: | 261.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD54747
Formula: C19H14O8
Smiles:
CC(=O)Oc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1OC(C)=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 3 |
| MolWt: | 370.31 | Num_heavy_atoms: | 27 |
| TPSA: | 123.27 | NumAromaticRings: | 3 |
