Glycoside
GD150459
Name:
3-{[2-benzyl-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-2,5-dihydroxy-6-methyloxan-4-yl heptanoateFormula:
C30H38O9Smiles:
CCCCCCC(=O)OC1C(O)C(C)OC(O)C1OC(=O)C(=Cc1ccc(O)c(OC)c1)Cc1ccccc1Aglycone:
CCCCCCC(=O)O.COc1cc(C=C(Cc2ccccc2)C(=O)O)ccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 12 |
| MolWt: | 542.63 | Num_heavy_atoms: | 39 |
| TPSA: | 131.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD03255
Formula: C7H14O2
Smiles:
CCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 130.19 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD49500
Formula: C17H16O4
Smiles:
COc1cc(C=C(Cc2ccccc2)C(=O)O)ccc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 284.31 | Num_heavy_atoms: | 21 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
