Glycoside
GD143923
Name:
17-(benzyloxy)-6-hydroxy-8,19-bis(hydroxymethyl)-2,8,15,19-tetramethyl-3-pentyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[11.9.3.0¹,¹â´.0²,¹¹.0âµ,¹â°.0¹âµ,²â°]pentacos-11-ene-5-carboxylic acidFormula:
C49H74O11Smiles:
CCCCCC1CC2(C(=O)O)C(O)CC(C)(CO)CC2C2=CC3CCCC4(CCC5C(C)(CO)C(OC6OCC(O)C(O)C6O)C(OCc6ccccc6)CC5(C)C34)C21CAglycone:
CCCCCC1CC2(C(=O)O)C(O)CC(C)(CO)CC2C2=CC3CCCC4(CCC5C(C)(CO)C(O)C(OCc6ccccc6)CC5(C)C34)C21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | 6.0 | Num_rotatable_bonds: | 12 |
| MolWt: | 839.12 | Num_heavy_atoms: | 60 |
| TPSA: | 186.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD57866
Formula: C44H66O7
Smiles:
CCCCCC1CC2(C(=O)O)C(O)CC(C)(CO)CC2C2=CC3CCCC4(CCC5C(C)(CO)C(O)C(OCc6ccccc6)CC5(C)C34)C21C| HBA: | 7 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 7.54 | Num_rotatable_bonds: | 10 |
| MolWt: | 707.01 | Num_heavy_atoms: | 51 |
| TPSA: | 127.45 | NumAromaticRings: | 1 |
