Glycoside
GD132411
Name:
7-(benzyloxy)-20-hydroxy-9,22-bis(hydroxymethyl)-5,9,22,25-tetramethyl-26-pentyl-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[16.6.2.0â´,¹³.0âµ,¹â°.0¹³,²âµ.0¹â¹,²â´]hexacos-1-ene-19-carboxylic acidFormula:
C50H76O11Smiles:
CCCCCC1C2CCCCC34CCC5C(C)(CO)C(OC6OCC(O)C(O)C6O)C(OCc6ccccc6)CC5(C)C3CC=C(C3CC(C)(CO)CC(O)C32C(=O)O)C14CAglycone:
CCCCCC1C2CCCCC34CCC5C(C)(CO)C(O)C(OCc6ccccc6)CC5(C)C3CC=C(C3CC(C)(CO)CC(O)C32C(=O)O)C14CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | 6.39 | Num_rotatable_bonds: | 12 |
| MolWt: | 853.15 | Num_heavy_atoms: | 61 |
| TPSA: | 186.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD53611
Formula: C45H68O7
Smiles:
CCCCCC1C2CCCCC34CCC5C(C)(CO)C(O)C(OCc6ccccc6)CC5(C)C3CC=C(C3CC(C)(CO)CC(O)C32C(=O)O)C14C| HBA: | 7 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 7.93 | Num_rotatable_bonds: | 10 |
| MolWt: | 721.03 | Num_heavy_atoms: | 52 |
| TPSA: | 127.45 | NumAromaticRings: | 1 |
