Glycoside
GD158305
Name:
NoneFormula:
C52H85O19NSmiles:
CC(=O)OC(C)(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(OC2OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C2OC2OC(CO)C(O)C(O)C2N=C(C)O)C(C)(C)C1CC3)C(C)CAglycone:
CC(=O)OC(C)(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)CSugarmoiety:
CC(O)=NC1C(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.9 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 16 |
| MolWt: | 1028.24 | Num_heavy_atoms: | 72 |
| TPSA: | 313.41 | NumAromaticRings: | 0 |
Unique Aglycone
AD07902
Formula: C33H54O5
Smiles:
CC(=O)OC(C)(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)C| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 7.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 530.79 | Num_heavy_atoms: | 38 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
