Glycoside
GD124172
Name:
Dioscoreside CFormula:
C52H84O22Smiles:
COC(CC(C)COC1OC(CO)C(O)C(O)C1O)C1=C(C)C2C(CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC32C)O1Aglycone:
COC(CC(C)CO)C1=C(C)C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)O1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.92 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 15 |
| MolWt: | 1061.22 | Num_heavy_atoms: | 74 |
| TPSA: | 335.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD50142
Formula: C28H44O4
Smiles:
COC(CC(C)CO)C1=C(C)C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)O1| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 5.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.66 | Num_heavy_atoms: | 32 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
