Glycoside
GD130788
Name:
Rubuside GFormula:
C36H56O9Smiles:
CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=C2C1C)C=CC1C2(C)CC(O)C(O)C(C)(C)C2CCC13CAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=C2C1C)C=CC1C2(C)CC(O)C(O)C(C)(C)C2CCC13CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 632.84 | Num_heavy_atoms: | 45 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD52995
Formula: C30H46O4
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=C2C1C)C=CC1C2(C)CC(O)C(O)C(C)(C)C2CCC13C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 5.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
