Glycoside
GD017205
Name:
NoneFormula:
C29H38O6N3Smiles:
O=C(C=Cc1ccc[n+]([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1)NCCCCC1CCN(C(=O)c2ccccc2)CC1Aglycone:
O=C(C=Cc1ccc[nH+]c1)NCCCCC1CCN(C(=O)c2ccccc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 10 |
| MolWt: | 524.64 | Num_heavy_atoms: | 38 |
| TPSA: | 123.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD12308
Formula: C24H30O2N3
Smiles:
O=C(C=Cc1ccc[nH+]c1)NCCCCC1CCN(C(=O)c2ccccc2)CC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 8 |
| MolWt: | 392.52 | Num_heavy_atoms: | 29 |
| TPSA: | 63.55 | NumAromaticRings: | 2 |
