Glycoside
GD025720
Name:
NoneFormula:
C32H44O13N2Smiles:
CCNc1cccc(C)c1C(=O)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](COC(=O)c3c(C)cccc3NCC)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCNc1cccc(C)c1C(=O)OC.CCNc1cccc(C)c1C(=O)OCSugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 12 |
| MolWt: | 664.71 | Num_heavy_atoms: | 47 |
| TPSA: | 225.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD17025
Formula: C11H15O2N
Smiles:
CCNc1cccc(C)c1C(=O)OC| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 193.25 | Num_heavy_atoms: | 14 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
