Glycoside
GD115812
Name:
Achyranthoside AFormula:
C48H72O20Smiles:
COC1(C(=O)O)OC2C(C(=O)O)OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CC(C(=O)OC7OC(CO)C(O)C(O)C7O)C6CCC45C)C3(C)C)C(O)C2OC1OCC(=O)OAglycone:
COC1(C(=O)O)OC2C(C(=O)O)OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CC(C(=O)O)C6CCC45C)C3(C)C)C(O)C2OC1OCC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 11 |
| MolWt: | 969.08 | Num_heavy_atoms: | 68 |
| TPSA: | 303.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD45883
Formula: C42H62O15
Smiles:
COC1(C(=O)O)OC2C(C(=O)O)OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CC(C(=O)O)C6CCC45C)C3(C)C)C(O)C2OC1OCC(=O)O| HBA: | 15 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 4.92 | Num_rotatable_bonds: | 9 |
| MolWt: | 806.94 | Num_heavy_atoms: | 57 |
| TPSA: | 224.81 | NumAromaticRings: | 0 |
