Glycoside
GD129819
Name:
Mukurozioside IaFormula:
C45H78O24Smiles:
CC(=CCOC1OC(CO)C(O)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O)CCC=C(C)CCCC(C)COC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1OAglycone:
CC(=CCO)CCC=C(C)CCCC(C)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: | 0.91 |
| AlogP: | -4.35 | Num_rotatable_bonds: | 21 |
| MolWt: | 1003.1 | Num_heavy_atoms: | 69 |
| TPSA: | 375.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD47148
Formula: C15H28O2
Smiles:
CC(=CCO)CCC=C(C)CCCC(C)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 9 |
| MolWt: | 240.39 | 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