Glycoside
GD116630
Name:
NoneFormula:
C47H76O17Smiles:
CC(C)=CCCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(OC2OCC(O)C(OC4OC(CO)C(O)C(O)C4O)C2OC2OC(CO)C(O)C(O)C2O)C(C)(C)C1CC3Aglycone:
CC(C)=CCCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3Sugarmoiety:
OCC1OC(OC2C(O)COC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.89 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 13 |
| MolWt: | 913.11 | Num_heavy_atoms: | 64 |
| TPSA: | 274.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD15778
Formula: C30H48O3
Smiles:
CC(C)=CCCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 7.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
