Glycoside
GD121919
Name:
methyl 7-(acetyloxy)-5-{[3-(4-methoxyphenyl)prop-2-enoyl]oxy}-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C29H36O14Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C(OC(=O)C=Cc1ccc(OC)cc1)CC2(C)OC(C)=OAglycone:
COC(=O)C1=COC(O)C2C1C(OC(=O)C=Cc1ccc(OC)cc1)CC2(C)OC(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 608.59 | Num_heavy_atoms: | 43 |
| TPSA: | 196.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD49102
Formula: C23H26O9
Smiles:
COC(=O)C1=COC(O)C2C1C(OC(=O)C=Cc1ccc(OC)cc1)CC2(C)OC(C)=O| HBA: | 9 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.45 | Num_heavy_atoms: | 32 |
| TPSA: | 117.59 | NumAromaticRings: | 1 |
