Glycoside
GD114583
Name:
20-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:
C42H68O10Smiles:
CCCCCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC34CCCC21C3(C)CCC1C(C)(CO)C(OC2OCC(O)C(O)C2O)C(O)CC14CAglycone:
CCCCCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC34CCCC21C3(C)CCC1C(C)(CO)C(O)C(O)CC14CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 733.0 | Num_heavy_atoms: | 52 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD45147
Formula: C37H60O6
Smiles:
CCCCCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC34CCCC21C3(C)CCC1C(C)(CO)C(O)C(O)CC14C| HBA: | 6 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 6.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 600.88 | Num_heavy_atoms: | 43 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
