Glycoside
GD149220
Name:
Hydrocotyloside IFormula:
C47H74O19Smiles:
CCC(=O)OC1C(OC(C)=O)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)C(O)C2OAglycone:
CCC(=O)OC1C(OC(C)=O)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2OSugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.89 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 10 |
| MolWt: | 943.09 | Num_heavy_atoms: | 66 |
| TPSA: | 308.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD59676
Formula: C35H56O8
Smiles:
CCC(=O)OC1C(OC(C)=O)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 4.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 604.83 | Num_heavy_atoms: | 43 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
