Glycoside
GD121702
Name:
6-ethyl-11-hydroxy-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:
C37H60O10Smiles:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)CC(O)C(OC5OCC(O)C(O)C5O)C(C)(CO)C4CCC3(C)C21CAglycone:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 664.88 | Num_heavy_atoms: | 47 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD49003
Formula: C32H52O6
Smiles:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C21C| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 532.76 | Num_heavy_atoms: | 38 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
