Glycoside
GD132034
Name:
19'-(benzyloxy)-8',17'-bis(hydroxymethyl)-1',2',8',15',17'-pentamethyl-18'-[(3,4,5-trihydroxyoxan-2-yl)oxy]spiro[cyclopentane-1,24'-hexacyclo[12.10.0.0²,¹¹.0âµ,¹â°.0¹âµ,²â°.0¹â¶,²³]tetracosane]-11',21'-diene-5'-carboxylic acidFormula:
C48H68O10Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C6C=CC(C5C(C)(CO)C(OC5OCC(O)C(O)C5O)C6OCc5ccccc5)C5(CCCC5)C43C)C2C1Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C6C=CC(C5C(C)(CO)C(O)C6OCc5ccccc5)C5(CCCC5)C43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | 6.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 805.06 | Num_heavy_atoms: | 58 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD53460
Formula: C43H60O6
Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C6C=CC(C5C(C)(CO)C(O)C6OCc5ccccc5)C5(CCCC5)C43C)C2C1| HBA: | 6 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 7.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 672.95 | Num_heavy_atoms: | 49 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
