Glycoside
GD144867
Name:
2-(3-{[4-(methoxycarbonyl)-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-6-yl]oxy}-3-oxoprop-1-en-2-yl)-5-methylcyclopentane-1-carboxylic acidFormula:
C27H38O13Smiles:
C=C(C(=O)OC1CC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2C1C)C1CCC(C)C1C(=O)OAglycone:
C=C(C(=O)OC1CC2C(C(=O)OC)=COC(O)C2C1C)C1CCC(C)C1C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 570.59 | Num_heavy_atoms: | 40 |
| TPSA: | 198.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD58182
Formula: C21H28O8
Smiles:
C=C(C(=O)OC1CC2C(C(=O)OC)=COC(O)C2C1C)C1CCC(C)C1C(=O)O| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 408.45 | Num_heavy_atoms: | 29 |
| TPSA: | 119.36 | NumAromaticRings: | 0 |
