Glycoside
GD143238
Name:
(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 1-hydroxy-6-{1-hydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carbonyloxy}-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C33H42O14Smiles:
CC1CCC2C(C(=O)OC3CC4C(C(=O)OCc5ccc(OC6OC(CO)C(O)C(O)C6O)cc5)=COC(O)C4C3C)=COC(O)C12Aglycone:
CC1CCC2C(C(=O)OC3CC4C(C(=O)OCc5ccc(O)cc5)=COC(O)C4C3C)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 8 |
| MolWt: | 662.69 | Num_heavy_atoms: | 47 |
| TPSA: | 210.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD57620
Formula: C27H32O9
Smiles:
CC1CCC2C(C(=O)OC3CC4C(C(=O)OCc5ccc(O)cc5)=COC(O)C4C3C)=COC(O)C12| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 500.54 | Num_heavy_atoms: | 36 |
| TPSA: | 131.75 | NumAromaticRings: | 1 |
