Glycoside
GD153849
Name:
12-ethyl-20-hydroxy-7,18-bis(hydroxymethyl)-7,14,18,22-tetramethyl-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:
C39H62O10Smiles:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC34CCCC21C3(C)CCC1C(C)(CO)C(OC2OCC(O)C(O)C2O)C(O)CC14CAglycone:
CCC1CC2(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: | 0.92 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 690.92 | Num_heavy_atoms: | 49 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD61154
Formula: C34H54O6
Smiles:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC34CCCC21C3(C)CCC1C(C)(CO)C(O)C(O)CC14C| HBA: | 6 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 558.8 | Num_heavy_atoms: | 40 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
