Glycoside
GD142452
Name:
NoneFormula:
C50H82O19Smiles:
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)C2O)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:
OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.92 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 15 |
| MolWt: | 987.19 | Num_heavy_atoms: | 69 |
| TPSA: | 301.05 | 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 |
