Glycoside
GD117572
Name:
11'-(benzyloxy)-4'-hydroxy-2',9'-bis(hydroxymethyl)-2',6'a,6'b,9',12'a-pentamethyl-6'-pentyl-10'-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2',3',4',4'a,5',6',6'a,6'b,7',8',8'a,9',10',11',12',12'a,12'b,14'b-octadecahydro-1'H-spiro[cyclopentane-1,13'-picene]-4'a-carboxylic acidFormula:
C51H78O11Smiles:
CCCCCC1CC2(C(=O)O)C(O)CC(C)(CO)CC2C2=CC3(CCCC3)C3C4(C)CC(OCc5ccccc5)C(OC5OCC(O)C(O)C5O)C(C)(CO)C4CCC3(C)C21CAglycone:
CCCCCC1CC2(C(=O)O)C(O)CC(C)(CO)CC2C2=CC3(CCCC3)C3C4(C)CC(OCc5ccccc5)C(O)C(C)(CO)C4CCC3(C)C21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | 6.78 | Num_rotatable_bonds: | 12 |
| MolWt: | 867.17 | Num_heavy_atoms: | 62 |
| TPSA: | 186.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD46891
Formula: C46H70O7
Smiles:
CCCCCC1CC2(C(=O)O)C(O)CC(C)(CO)CC2C2=CC3(CCCC3)C3C4(C)CC(OCc5ccccc5)C(O)C(C)(CO)C4CCC3(C)C21C| HBA: | 7 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 8.32 | Num_rotatable_bonds: | 10 |
| MolWt: | 735.06 | Num_heavy_atoms: | 53 |
| TPSA: | 127.45 | NumAromaticRings: | 1 |
