Glycoside
GD137355
Name:
4,5-bis(acetyloxy)-2-{[2-(acetyloxy)cyclohexyl]oxy}-6-[(acetyloxy)methyl]oxan-3-yl 3-[3,4-bis(acetyloxy)phenyl]prop-2-enoateFormula:
C33H40O16Smiles:
CC(=O)OCC1OC(OC2CCCCC2OC(C)=O)C(OC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)C(OC(C)=O)C1OC(C)=OAglycone:
CC(=O)OC1CCCCC1O.CC(=O)Oc1ccc(C=CC(=O)O)cc1OC(C)=O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.55 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 12 |
| MolWt: | 692.67 | Num_heavy_atoms: | 49 |
| TPSA: | 202.56 | 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 |
AD17518
Formula: C13H12O6
Smiles:
CC(=O)Oc1ccc(C=CC(=O)O)cc1OC(C)=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 264.23 | Num_heavy_atoms: | 19 |
| TPSA: | 89.9 | NumAromaticRings: | 1 |
AD55493
Formula: C8H14O3
Smiles:
CC(=O)OC1CCCCC1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 158.2 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
