Glycoside
GD003619
Name:
NoneFormula:
C48H78O19Smiles:
CC1CC(C(=O)OC2OC(COC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C(O)C(O)C2O)C2CCC3(C)C(=CCC4(C)C3CCC3C(C)(CO)C(O)C(O)CC34C)C2C1CAglycone:
CC1CC(C(=O)O)C2CCC3(C)C(=CCC4(C)C3CCC3C(C)(CO)C(O)C(O)CC34C)C2C1CSugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.94 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 959.13 | Num_heavy_atoms: | 67 |
| TPSA: | 315.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD03267
Formula: C30H48O5
Smiles:
CC1CC(C(=O)O)C2CCC3(C)C(=CCC4(C)C3CCC3C(C)(CO)C(O)C(O)CC34C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 4.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
