Glycoside
GD154411
Name:
Rubianoside IvFormula:
C36H60O10Smiles:
CC(C)C1CC(O)C2C1(CO)CCC1(C)C3C(=CCC21C)C1(C)CC(O)C(OC2OC(CO)C(O)C(O)C2O)C(C)(C)C1CC3OAglycone:
CC(C)C1CC(O)C2C1(CO)CCC1(C)C3C(=CCC21C)C1(C)CC(O)C(O)C(C)(C)C1CC3OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 652.87 | Num_heavy_atoms: | 46 |
| TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD61334
Formula: C30H50O5
Smiles:
CC(C)C1CC(O)C2C1(CO)CCC1(C)C3C(=CCC21C)C1(C)CC(O)C(O)C(C)(C)C1CC3O| HBA: | 5 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
