Glycoside
GD140625
Name:
11-(benzyloxy)-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:
C47H72O10Smiles:
CCCCCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)CC(OCc5ccccc5)C(OC5OCC(O)C(O)C5O)C(C)(CO)C4CCC3(C)C21CAglycone:
CCCCCC1CC2(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: | 0.81 |
| AlogP: | 6.64 | Num_rotatable_bonds: | 12 |
| MolWt: | 797.08 | Num_heavy_atoms: | 57 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD56696
Formula: C42H64O6
Smiles:
CCCCCC1CC2(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: | 0.79 |
| AlogP: | 8.18 | Num_rotatable_bonds: | 10 |
| MolWt: | 664.97 | Num_heavy_atoms: | 48 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
