Glycoside
GD143728
Name:
4a-hydroxy-7-methyl-5-[(3-phenylprop-2-enoyl)oxy]-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl 3-phenylprop-2-enoateFormula:
C33H36O12Smiles:
CC1(OC(=O)C=Cc2ccccc2)CC(OC(=O)C=Cc2ccccc2)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC1(OC(=O)C=Cc2ccccc2)CC(OC(=O)C=Cc2ccccc2)C2(O)C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 9 |
| MolWt: | 624.64 | Num_heavy_atoms: | 45 |
| TPSA: | 181.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD57789
Formula: C27H26O7
Smiles:
CC1(OC(=O)C=Cc2ccccc2)CC(OC(=O)C=Cc2ccccc2)C2(O)C=COC(O)C12| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.26 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 462.5 | Num_heavy_atoms: | 34 |
| TPSA: | 102.29 | NumAromaticRings: | 2 |
