Glycoside
GD135506
Name:
5-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl 3-phenylprop-2-enoateFormula:
C23H30O13Smiles:
CC(=O)OCC1OC(OC2(CO)OC(CO)C(OC(=O)C=Cc3ccccc3)C2O)C(O)C(O)C1OAglycone:
COC(C)=O.O=C(O)C=Cc1ccccc1Sugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 9 |
| MolWt: | 514.48 | Num_heavy_atoms: | 36 |
| TPSA: | 201.67 | 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 |
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
