Glycoside
GD138936
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 15-(acetyloxy)-11-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C28H42O10Smiles:
C=C1C2CC(O)C3C4(C)CCCC(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)C4CCC3(C2)C1OC(C)=OAglycone:
C=C1C2CC(O)C3C4(C)CCCC(C)(C(=O)O)C4CCC3(C2)C1OC(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 538.63 | Num_heavy_atoms: | 38 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD56049
Formula: C22H32O5
Smiles:
C=C1C2CC(O)C3C4(C)CCCC(C)(C(=O)O)C4CCC3(C2)C1OC(C)=O| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 3.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 376.49 | Num_heavy_atoms: | 27 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
