Glycoside
GD136004
Name:
11-(benzyloxy)-4-hydroxy-2,9-bis(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:
C47H72O11Smiles:
CCCCCC1CC2(C(=O)O)C(O)CC(C)(CO)CC2C2=CCC3C4(C)CC(OCc5ccccc5)C(OC5OCC(O)C(O)C5O)C(C)(CO)C4CCC3(C)C21CAglycone:
CCCCCC1CC2(C(=O)O)C(O)CC(C)(CO)CC2C2=CCC3C4(C)CC(OCc5ccccc5)C(O)C(C)(CO)C4CCC3(C)C21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | 5.61 | Num_rotatable_bonds: | 12 |
| MolWt: | 813.08 | Num_heavy_atoms: | 58 |
| TPSA: | 186.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD54980
Formula: C42H64O7
Smiles:
CCCCCC1CC2(C(=O)O)C(O)CC(C)(CO)CC2C2=CCC3C4(C)CC(OCc5ccccc5)C(O)C(C)(CO)C4CCC3(C)C21C| HBA: | 7 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | 7.15 | Num_rotatable_bonds: | 10 |
| MolWt: | 680.97 | Num_heavy_atoms: | 49 |
| TPSA: | 127.45 | NumAromaticRings: | 1 |
