Glycoside
GD156995
Name:
Rubianoside IiiFormula:
C36H60O9Smiles:
CC(C)C1CC(O)C2C1(CO)CCC1(C)C3C(=CCC21C)C1(C)CCC(OC2OC(CO)C(O)C(O)C2O)C(C)(C)C1CC3OAglycone:
CC(C)C1CC(O)C2C1(CO)CCC1(C)C3C(=CCC21C)C1(C)CCC(O)C(C)(C)C1CC3OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 636.87 | Num_heavy_atoms: | 45 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD44890
Formula: C30H50O4
Smiles:
CC(C)C1CC(O)C2C1(CO)CCC1(C)C3C(=CCC21C)C1(C)CCC(O)C(C)(C)C1CC3O| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
