Glycoside
GD147831
Name:
4-methyl 8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-11-(hydroxymethyl)-4,6a,6b,11,14b-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylateFormula:
C37H58O11Smiles:
COC(=O)C1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(CO)CCC3(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC21CAglycone:
COC(=O)C1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(CO)CCC3(C(=O)O)CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 678.86 | Num_heavy_atoms: | 48 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD59184
Formula: C31H48O6
Smiles:
COC(=O)C1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(CO)CCC3(C(=O)O)CCC21C| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 5.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 516.72 | Num_heavy_atoms: | 37 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
