Glycoside
GD151140
Name:
4a-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl 3-phenylprop-2-enoateFormula:
C29H38O15Smiles:
CC1(OC(=O)C=Cc2ccccc2)CC(OC2OCC(O)C(O)C2O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC1(OC(=O)C=Cc2ccccc2)CC(O)C2(O)C=COC(O)C12Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -2.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 626.61 | Num_heavy_atoms: | 44 |
| TPSA: | 234.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD01243
Formula: C18H20O6
Smiles:
CC1(OC(=O)C=Cc2ccccc2)CC(O)C2(O)C=COC(O)C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.35 | Num_heavy_atoms: | 24 |
| TPSA: | 96.22 | NumAromaticRings: | 1 |
