Glycoside
GD141343
Name:
22-hydroxy-1,2,6,6,10,19-hexamethyl-16-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-21-oxahexacyclo[12.11.0.0²,¹¹.0âµ,¹â°.0¹âµ,²³.0¹â¸,²³]pentacos-14-en-8-yl acetateFormula:
C38H58O11Smiles:
CC(=O)OC1CC2(C)C(CCC3(C)C2CCC2=C4C(=O)CC5C(C)COC(O)C45CCC23C)C(C)(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)OC1CC2(C)C(CCC3(C)C2CCC2=C4C(=O)CC5C(C)COC(O)C45CCC23C)C(C)(C)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 690.87 | Num_heavy_atoms: | 49 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD56949
Formula: C32H48O6
Smiles:
CC(=O)OC1CC2(C)C(CCC3(C)C2CCC2=C4C(=O)CC5C(C)COC(O)C45CCC23C)C(C)(C)C1O| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 5.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 528.73 | Num_heavy_atoms: | 38 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
