Glycoside
GD131688
Name:
NoneFormula:
C60H98O30Smiles:
CC(=O)OCC1(C)CC(O)C23COC4(CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C4(C)CC2OC2OCC(OC4OC(CO)C(O)C(O)C4O)C(O)C2O)C3C1Aglycone:
CC(=O)OCC1(C)CC(O)C23COC4(CCC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1Sugarmoiety:
OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2COC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 11 |
| HBD: | 17 | FractionCSP3: | 0.98 |
| AlogP: | -5.76 | Num_rotatable_bonds: | 16 |
| MolWt: | 1299.41 | Num_heavy_atoms: | 90 |
| TPSA: | 471.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD53335
Formula: C32H52O7
Smiles:
CC(=O)OCC1(C)CC(O)C23COC4(CCC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 548.76 | Num_heavy_atoms: | 39 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Sugarmoiety
SD07405
OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2COC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O