Glycoside
GD140536
Name:
3-(acetyloxy)-5-hydroxy-6-methyl-2-[(10-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)cyclohexyl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-5-yl)oxy]oxan-4-yl 3-phenylprop-2-enoateFormula:
C32H40O15Smiles:
CC(=O)OC1C(OC2C3C=COC(OC4C(O)C(O)C(O)C(O)C4CO)C3C3OC23)OC(C)C(O)C1OC(=O)C=Cc1ccccc1Aglycone:
O=C(O)C=Cc1ccccc1.OCC1C(O)C(O)C(O)C(O)C1OC1OC=CC2C(O)C3OC3C12Sugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 664.66 | Num_heavy_atoms: | 47 |
| TPSA: | 223.43 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD50553
Formula: C15H22O9
Smiles:
OCC1C(O)C(O)C(O)C(O)C1OC1OC=CC2C(O)C3OC3C12| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | -3.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.33 | Num_heavy_atoms: | 24 |
| TPSA: | 152.37 | NumAromaticRings: | 0 |
