Glycoside
GD121609
Name:
4-formyl-8-[2-(2-methoxyoxolan-3-yl)ethyl]-4a,7,8-trimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphthalen-1-yl 3-phenylprop-2-enoateFormula:
C36H52O11Smiles:
COC1OCCC1CCC1(C)C(C)CC(OC2OC(CO)C(O)C(O)C2O)C2(C)C(C=O)CCC(OC(=O)C=Cc3ccccc3)C12Aglycone:
COC1OCCC1CCC1(C)C(C)CC(O)C2(C)C(C=O)CCC(OC(=O)C=Cc3ccccc3)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 11 |
| MolWt: | 660.8 | Num_heavy_atoms: | 47 |
| TPSA: | 161.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD48963
Formula: C30H42O6
Smiles:
COC1OCCC1CCC1(C)C(C)CC(O)C2(C)C(C=O)CCC(OC(=O)C=Cc3ccccc3)C12| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 5.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 498.66 | Num_heavy_atoms: | 36 |
| TPSA: | 82.06 | NumAromaticRings: | 1 |
