Glycoside
GD154559
Name:
Rubianoside IiFormula:
C36H60O8Smiles:
CC(C)C1CC(O)C2C1(C)CCC1(C)C3C(=CCC21C)C1(C)CCC(OC2OC(CO)C(O)C(O)C2O)C(C)(C)C1CC3OAglycone:
CC(C)C1CC(O)C2C1(C)CCC1(C)C3C(=CCC21C)C1(C)CCC(O)C(C)(C)C1CC3OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 620.87 | Num_heavy_atoms: | 44 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD61375
Formula: C30H50O3
Smiles:
CC(C)C1CC(O)C2C1(C)CCC1(C)C3C(=CCC21C)C1(C)CCC(O)C(C)(C)C1CC3O| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
