Glycoside
GD144620
Name:
20-(benzyloxy)-9-hydroxy-7,18-bis(hydroxymethyl)-7,14,18,22-tetramethyl-12-pentyl-19-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[11.9.3.0¹,¹â´.0â´,¹³.0âµ,¹â°.0¹â·,²²]pentacos-3-ene-10-carboxylic acidFormula:
C49H74O11Smiles:
CCCCCC1CC2(C(=O)O)C(O)CC(C)(CO)CC2C2=CCC34CCCC21C3(C)CCC1C(C)(CO)C(OC2OCC(O)C(O)C2O)C(OCc2ccccc2)CC14CAglycone:
CCCCCC1CC2(C(=O)O)C(O)CC(C)(CO)CC2C2=CCC34CCCC21C3(C)CCC1C(C)(CO)C(O)C(OCc2ccccc2)CC14CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | 6.15 | Num_rotatable_bonds: | 12 |
| MolWt: | 839.12 | Num_heavy_atoms: | 60 |
| TPSA: | 186.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD58106
Formula: C44H66O7
Smiles:
CCCCCC1CC2(C(=O)O)C(O)CC(C)(CO)CC2C2=CCC34CCCC21C3(C)CCC1C(C)(CO)C(O)C(OCc2ccccc2)CC14C| HBA: | 7 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 7.69 | Num_rotatable_bonds: | 10 |
| MolWt: | 707.01 | Num_heavy_atoms: | 51 |
| TPSA: | 127.45 | NumAromaticRings: | 1 |
