Glycoside
GD137148
Name:
[3,4,5-tris(acetyloxy)-6-[4-(acetyloxy)phenoxy]oxan-2-yl]methyl 4-(acetyloxy)benzoateFormula:
C29H30O14Smiles:
CC(=O)Oc1ccc(OC2OC(COC(=O)c3ccc(OC(C)=O)cc3)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1Aglycone:
CC(=O)Oc1ccc(O)cc1.COC(=O)c1ccc(OC(C)=O)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 10 |
| MolWt: | 602.55 | Num_heavy_atoms: | 43 |
| TPSA: | 176.26 | NumAromaticRings: | 2 |
Unique Aglycone
AD51162
Formula: C10H10O4
Smiles:
COC(=O)c1ccc(OC(C)=O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 52.6 | NumAromaticRings: | 1 |
AD55426
Formula: C8H8O3
Smiles:
CC(=O)Oc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
