Glycoside
GD126903
Name:
9-(1,2-dihydroxyethyl)-11-hydroxy-2-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-6-pentyl-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:
C41H68O11Smiles:
CCCCCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)CC(O)C(OC5OCC(O)C(O)C5O)C(C)(C(O)CO)C4CCC3(C)C21CAglycone:
CCCCCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)CC(O)C(O)C(C)(C(O)CO)C4CCC3(C)C21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 10 |
| MolWt: | 736.98 | Num_heavy_atoms: | 52 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD51370
Formula: C36H60O7
Smiles:
CCCCCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)CC(O)C(O)C(C)(C(O)CO)C4CCC3(C)C21C| HBA: | 7 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 604.87 | Num_heavy_atoms: | 43 |
| TPSA: | 138.45 | NumAromaticRings: | 0 |
