Glycoside
GD129041
Name:
1-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-4a,5-dihydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl 3-phenylprop-2-enoateFormula:
C26H32O12Smiles:
CC(=O)OCC1OC(OC2OC=CC3(O)C(O)CC(C)(OC(=O)C=Cc4ccccc4)C23)C(O)C(O)C1OAglycone:
CC1(OC(=O)C=Cc2ccccc2)CC(O)C2(O)C=COC(O)C12.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 536.53 | Num_heavy_atoms: | 38 |
| TPSA: | 181.44 | 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 |
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 |
