Glycoside
GD157193
Name:
Marsdenoside CFormula:
C47H68O14Smiles:
CCC(C)C(=O)OC1C2C3(C)CCC(OC4CC(OC)C(OC5OC(C)C(O)C(OC)C5O)C(C)O4)CC3CCC23OC32CCC(C(C)=O)C2(C)C1OC(=O)c1ccccc1Aglycone:
CCC(C)C(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1OC(=O)c1ccccc1Sugarmoiety:
COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 5.31 | Num_rotatable_bonds: | 12 |
| MolWt: | 857.05 | Num_heavy_atoms: | 61 |
| TPSA: | 178.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD59440
Formula: C33H44O7
Smiles:
CCC(C)C(=O)OC1C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C2(C)C1OC(=O)c1ccccc1| HBA: | 7 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 552.71 | Num_heavy_atoms: | 40 |
| TPSA: | 102.43 | NumAromaticRings: | 1 |
