Glycoside
GD147657
Name:
5,9,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidene-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[9.3.1.0³,â¸]pentadec-11-en-13-yl acetateFormula:
C34H50O14Smiles:
C=C1C(OC(C)=O)CCC2(C)C1CC1C(OC3OC(CO)C(O)C(O)C3O)C(OC(C)=O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)CAglycone:
C=C1C(OC(C)=O)CCC2(C)C1CC1C(O)C(OC(C)=O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 682.76 | Num_heavy_atoms: | 48 |
| TPSA: | 204.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD59125
Formula: C28H40O9
Smiles:
C=C1C(OC(C)=O)CCC2(C)C1CC1C(O)C(OC(C)=O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)C| HBA: | 9 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 520.62 | Num_heavy_atoms: | 37 |
| TPSA: | 125.43 | NumAromaticRings: | 0 |
