Glycoside
GD136643
Name:
NoneFormula:
C53H84O22Smiles:
COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(CO)OC(OC4C(OC5CCC6(C)C7CCC89C(=O)OC(C)(CC(O)C=C(C)C)C8CCC9(C)C7=CCC6C5(C)C)OCC(O)C4O)C(O)C3O)C2O)C1OAglycone:
CC(C)=CC(O)CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13Sugarmoiety:
COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(CO)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 11 | FractionCSP3: | 0.91 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 14 |
| MolWt: | 1073.23 | Num_heavy_atoms: | 75 |
| TPSA: | 331.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD55245
Formula: C30H46O4
Smiles:
CC(C)=CC(O)CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 5.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
