Glycoside
GD119316
Name:
Maejaposide AFormula:
C65H104O30Smiles:
CCCC=CC(=O)OC1CC(C)(C)CC2C13C(O)CC1(C)C4(C)CCC5C(C)(C)C(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC21OC3OAglycone:
CCCC=CC(=O)OC1CC(C)(C)CC2C13C(O)CC1(C)C4(C)CCC5C(C)(C)C(O)CCC5(C)C4CCC21OC3OSugarmoiety:
CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 11 |
| HBD: | 16 | FractionCSP3: | 0.94 |
| AlogP: | -2.57 | Num_rotatable_bonds: | 17 |
| MolWt: | 1365.52 | Num_heavy_atoms: | 95 |
| TPSA: | 468.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD47780
Formula: C36H58O6
Smiles:
CCCC=CC(=O)OC1CC(C)(C)CC2C13C(O)CC1(C)C4(C)CCC5C(C)(C)C(O)CCC5(C)C4CCC21OC3O| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 6.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 586.85 | Num_heavy_atoms: | 42 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
Sugarmoiety
SD04946
CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O