Glycoside
GD123142
Name:
Copteroside DFormula:
C47H76O18Smiles:
CC1(C)CC(C(=O)OC2OC(CO)C(O)C(O)C2O)C2CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1Aglycone:
CC1(C)CC(C(=O)O)C2CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.94 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 929.11 | Num_heavy_atoms: | 65 |
| TPSA: | 294.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD45975
Formula: C30H48O4
Smiles:
CC1(C)CC(C(=O)O)C2CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 6.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
