Glycoside
GD117067
Name:
11-(benzyloxy)-6-ethyl-2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidFormula:
C44H66O10Smiles:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)CC(OCc5ccccc5)C(OC5OCC(O)C(O)C5O)C(C)(CO)C4CCC3(C)C21CAglycone:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)CC(OCc5ccccc5)C(O)C(C)(CO)C4CCC3(C)C21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 755.0 | Num_heavy_atoms: | 54 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD46614
Formula: C39H58O6
Smiles:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)CC(OCc5ccccc5)C(O)C(C)(CO)C4CCC3(C)C21C| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 7.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 622.89 | Num_heavy_atoms: | 45 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
