Glycoside
GD132070
Name:
NoneFormula:
C57H93O23NSmiles:
CC(=O)OC(C)(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(OC2OC(CO)C(O)C(OC4OCC(OC5OCC(O)C(O)C5O)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(OC3OCC(O)C(O)C3O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.91 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 18 |
| MolWt: | 1160.36 | Num_heavy_atoms: | 81 |
| TPSA: | 372.33 | 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 |
