Glycoside
GD119156
Name:
2'-(benzyloxy)-9'-hydroxy-4',11'-bis(hydroxymethyl)-4',6'a,6'b,11',14'b-pentamethyl-3'-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2',3',4',4'a,5',6'a,6'b,7',8',8'a,9',10',11',12',12'a,14',14'a,14'b-octadecahydro-1'H-spiro[cyclopentane-1,6'-picene]-8'a-carboxylic acidFormula:
C46H68O11Smiles:
CC1(CO)CC(O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(OCc6ccccc6)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CC5(CCCC5)C43C)C2C1Aglycone:
CC1(CO)CC(O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(OCc6ccccc6)C(O)C(C)(CO)C5CC5(CCCC5)C43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | 4.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 797.04 | Num_heavy_atoms: | 57 |
| TPSA: | 186.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD47697
Formula: C41H60O7
Smiles:
CC1(CO)CC(O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(OCc6ccccc6)C(O)C(C)(CO)C5CC5(CCCC5)C43C)C2C1| HBA: | 7 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | 6.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 664.92 | Num_heavy_atoms: | 48 |
| TPSA: | 127.45 | NumAromaticRings: | 1 |
