Glycoside
GD116511
Name:
2-({3-ethoxy-14-hydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹â°.0â´,â¸]hexadec-4(8)-en-6-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C28H44O8Smiles:
C=C1C2=C(C(OCC)CC34CC(CCC13)C(C)(O)C4)C(C)(C)C(OC1OC(CO)C(O)C(O)C1O)C2Aglycone:
C=C1C2=C(C(OCC)CC34CC(CCC13)C(C)(O)C4)C(C)(C)C(O)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 508.65 | Num_heavy_atoms: | 36 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD46281
Formula: C22H34O3
Smiles:
C=C1C2=C(C(OCC)CC34CC(CCC13)C(C)(O)C4)C(C)(C)C(O)C2| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 4.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 346.51 | Num_heavy_atoms: | 25 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
