Glycoside
GD151458
Name:
NoneFormula:
C48H72O18Smiles:
CC1=C(O)C(=O)CC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7OC7OC(C(=O)O)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C4(C)CCC23C)O1Aglycone:
CC1=C(O)C(=O)CC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CCC23C)O1Sugarmoiety:
O=C(O)C1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.85 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 937.09 | Num_heavy_atoms: | 66 |
| TPSA: | 288.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD45334
Formula: C36H56O6
Smiles:
CC1=C(O)C(=O)CC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CCC23C)O1| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 7.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 584.84 | Num_heavy_atoms: | 42 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
