Glycoside
GD132442
Name:
Marsdenoside EFormula:
C40H62O14Smiles:
CCC(=O)OC1C2C3(C)CCC(OC4CC(OC)C(OC5OC(C)C(O)C(OC)C5O)C(C)O4)CC3CCC23OC32CCC(C(C)=O)C2(C)C1OC(C)=OAglycone:
CCC(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1OC(C)=OSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 10 |
| MolWt: | 766.92 | Num_heavy_atoms: | 54 |
| TPSA: | 178.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD53626
Formula: C26H38O7
Smiles:
CCC(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1OC(C)=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 462.58 | Num_heavy_atoms: | 33 |
| TPSA: | 102.43 | NumAromaticRings: | 0 |
