Glycoside
GD156628
Name:
[3,4,5-tris(acetyloxy)-6-[4-(acetyloxy)-2-methyl-5-(propan-2-yl)phenoxy]oxan-2-yl]methyl acetateFormula:
C26H34O12Smiles:
CC(=O)OCC1OC(Oc2cc(C(C)C)c(OC(C)=O)cc2C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC(=O)Oc1cc(C)c(O)cc1C(C)C.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.58 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 538.55 | Num_heavy_atoms: | 38 |
| TPSA: | 149.96 | NumAromaticRings: | 1 |
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 |
AD61999
Formula: C12H16O3
Smiles:
CC(=O)Oc1cc(C)c(O)cc1C(C)C| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 2 |
| MolWt: | 208.26 | Num_heavy_atoms: | 15 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
