Glycoside
GD139225
Name:
2,10-bis(acetyloxy)-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[9.3.1.0³,â¸]pentadec-11-en-9-yl acetateFormula:
C32H46O13Smiles:
C=C1C(OC2OC(CO)C(O)C(O)C2O)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(C(OC(C)=O)C12)C3(C)CAglycone:
C=C1C(O)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(C(OC(C)=O)C12)C3(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 638.71 | Num_heavy_atoms: | 45 |
| TPSA: | 195.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD56139
Formula: C26H36O8
Smiles:
C=C1C(O)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(=O)CC(C(OC(C)=O)C12)C3(C)C| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 476.57 | Num_heavy_atoms: | 34 |
| TPSA: | 116.2 | NumAromaticRings: | 0 |
