Glycoside
GD127917
Name:
NoneFormula:
C60H94O27Smiles:
C=C(C)C=CCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(OC4OCC(OC6OC(CO)C(O)C(O)C6O)C(O)C4OC4OC(C)C(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(OC)C7O)C6O)C(O)C4O)C5(C)C)C2(C)CCC13Aglycone:
C=C(C)C=CCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13Sugarmoiety:
COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(O)OCC(OC5OC(CO)C(O)C(O)C5O)C4O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 10 |
| HBD: | 14 | FractionCSP3: | 0.88 |
| AlogP: | -2.82 | Num_rotatable_bonds: | 17 |
| MolWt: | 1247.39 | Num_heavy_atoms: | 87 |
| TPSA: | 411.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD51815
Formula: C30H44O4
Smiles:
C=C(C)C=CCC1(C)OC(=O)C23C(O)C=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 5.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 468.68 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
Sugarmoiety
SD04526
COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(O)OCC(OC5OC(CO)C(O)C(O)C5O)C4O)C(O)C3O)C2O)C1O