Glycoside
GD140175
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-(8,8a-dimethyl-3-oxo-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-ylidene)propanoateFormula:
C21H30O8Smiles:
CC(C(=O)OC1OC(CO)C(O)C(O)C1O)=C1CC2(C)C(=CC1=O)CCCC2CAglycone:
CC(C(=O)O)=C1CC2(C)C(=CC1=O)CCCC2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 410.46 | Num_heavy_atoms: | 29 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD56520
Formula: C15H20O3
Smiles:
CC(C(=O)O)=C1CC2(C)C(=CC1=O)CCCC2C| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 248.32 | Num_heavy_atoms: | 18 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
