Glycoside
GD150549
Name:
NoneFormula:
C51H82O24Smiles:
CC(CCC1(O)OC2CC3C4CC=C5CC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1CSugarmoiety:
CC1OC(OC2C(O)OC(C(=O)O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.94 |
| AlogP: | -2.91 | Num_rotatable_bonds: | 15 |
| MolWt: | 1079.19 | Num_heavy_atoms: | 75 |
| TPSA: | 383.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD01953
Formula: C27H44O4
Smiles:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
Sugarmoiety
SD09804
CC1OC(OC2C(O)OC(C(=O)O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O