Glycoside
GD138207
Name:
Platycoside KFormula:
C42H68O17Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(CO)(CO)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(CO)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.93 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 844.99 | Num_heavy_atoms: | 59 |
| TPSA: | 296.75 | 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 |
