Glycoside
GD123648
Name:
NoneFormula:
C54H84O23Smiles:
COC1C(O)COC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(OC5CCC6(C)C7CCC89C(=O)OC(C)(CCCC(C)=O)C8C(OC(C)=O)CC9(C)C7=CCC6C5(C)C)OCC(O)C4O)C(O)C3O)C2O)C1OAglycone:
CC(=O)CCCC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CC(OC(C)=O)C13Sugarmoiety:
COC1C(O)COC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 15 |
| MolWt: | 1101.24 | Num_heavy_atoms: | 77 |
| TPSA: | 334.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD49921
Formula: C31H46O6
Smiles:
CC(=O)CCCC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CC(OC(C)=O)C13| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.84 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 514.7 | Num_heavy_atoms: | 37 |
| TPSA: | 89.9 | NumAromaticRings: | 0 |
