Glycoside
GD153527
Name:
Mukurozioside IbFormula:
C45H76O24Smiles:
CC(=CCCC(C)=CCOC1OC(CO)C(O)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O)CCC=C(C)COC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1OAglycone:
CC(=CCCC(C)=CCCC(C)=CCO)COSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 5 |
| HBD: | 14 | FractionCSP3: | 0.87 |
| AlogP: | -4.43 | Num_rotatable_bonds: | 20 |
| MolWt: | 1001.08 | Num_heavy_atoms: | 69 |
| TPSA: | 375.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD48101
Formula: C15H26O2
Smiles:
CC(=CCCC(C)=CCCC(C)=CCO)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 238.37 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
Sugarmoiety
SD07140
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O