Glycoside
GD134816
Name:
Marsdenoside HFormula:
C48H76O19Smiles:
CCC(C)C(=O)OC1C2C3(C)CCC(OC4CC(OC)C(OC5OC(C)C(OC6OC(CO)C(O)C(O)C6O)C(OC)C5O)C(C)O4)CC3CCC23OC32CCC(C(C)=O)C2(C)C1OC(C)=OAglycone:
CCC(C)C(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1OC(C)=OSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(C)C(OC2OC(CO)C(O)C(O)C2O)C(OC)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 14 |
| MolWt: | 957.12 | Num_heavy_atoms: | 67 |
| TPSA: | 257.19 | NumAromaticRings: | 0 |
Unique Aglycone
AD47054
Formula: C28H42O7
Smiles:
CCC(C)C(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1OC(C)=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.64 | Num_heavy_atoms: | 35 |
| TPSA: | 102.43 | NumAromaticRings: | 0 |
