Glycoside
GD139885
Name:
Platycoside CFormula:
C54H86O25Smiles:
CC(=O)OC1C(O)C(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7O)C(CO)(CO)C6CCC5(C)C3(C)CC4O)OCC(O)C2O)OC(C)C1OC1OCC(O)C(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(CO)C5CCC43C)C2C1Sugarmoiety:
CC(=O)OC1C(O)C(OC2C(O)OCC(O)C2O)OC(C)C1OC1OCC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.93 |
| AlogP: | -3.27 | Num_rotatable_bonds: | 12 |
| MolWt: | 1135.26 | Num_heavy_atoms: | 79 |
| TPSA: | 400.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD12196
Formula: C30H48O7
Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(CO)C5CCC43C)C2C1| HBA: | 7 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 520.71 | Num_heavy_atoms: | 37 |
| TPSA: | 138.45 | NumAromaticRings: | 0 |
