Glycoside
GD117235
Name:
2,5-bis(acetyloxy)-8,12,15,15-tetramethyl-4-methylidene-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[9.3.1.0³,â¸]pentadec-11-en-14-yl acetateFormula:
C32H48O12Smiles:
C=C1C(OC(C)=O)CCC2(C)CC(OC3OC(CO)C(O)C(O)C3O)C3=C(C)CC(OC(C)=O)C(C(OC(C)=O)C12)C3(C)CAglycone:
C=C1C(OC(C)=O)CCC2(C)CC(O)C3=C(C)CC(OC(C)=O)C(C(OC(C)=O)C12)C3(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 624.72 | Num_heavy_atoms: | 44 |
| TPSA: | 178.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD46709
Formula: C26H38O7
Smiles:
C=C1C(OC(C)=O)CCC2(C)CC(O)C3=C(C)CC(OC(C)=O)C(C(OC(C)=O)C12)C3(C)C| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 3.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 462.58 | Num_heavy_atoms: | 33 |
| TPSA: | 99.13 | NumAromaticRings: | 0 |
