Glycoside
GD010593
Name:
NoneFormula:
C50H80O19Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(O)CC(O[C@@H]5CC[C@]6(C)C(=CC[C@]7(O)[C@H]6C[C@H](OC(C)=O)[C@]6(C)[C@](O)(C(C)=O)CC[C@]76O)C5)OC4C)CC3OC)CC2OC)OC(C)C1OAglycone:
CC(=O)OC1CC2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(O)(C(C)=O)C12CSugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(O)CC(O)OC4C)CC3OC)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 13 |
| MolWt: | 985.17 | Num_heavy_atoms: | 69 |
| TPSA: | 246.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD08160
Formula: C23H34O7
Smiles:
CC(=O)OC1CC2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(O)(C(C)=O)C12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 422.52 | Num_heavy_atoms: | 30 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
