Glycoside
GD132737
Name:
Rubiarboside G 28-AlFormula:
C42H68O14Smiles:
CC(C)C1CC(O)C2C1(C=O)CCC1(C)C3C(=CCC21C)C1(C)CCC(OC2OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C2O)C(C)(C)C1CC3OAglycone:
CC(C)C1CC(O)C2C1(C=O)CCC1(C)C3C(=CCC21C)C1(C)CCC(O)C(C)(C)C1CC3OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 796.99 | Num_heavy_atoms: | 56 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD53739
Formula: C30H48O4
Smiles:
CC(C)C1CC(O)C2C1(C=O)CCC1(C)C3C(=CCC21C)C1(C)CCC(O)C(C)(C)C1CC3O| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
