Glycoside
GD082495
Name:
NoneFormula:
C20H29O7N2Smiles:
Cc1cccc(N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1Aglycone:
Cc1cccc(NC2COC3(CC[NH2+]C3)C2)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -2.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 409.46 | Num_heavy_atoms: | 29 |
| TPSA: | 144.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD37062
Formula: C14H21ON2
Smiles:
Cc1cccc(NC2COC3(CC[NH2+]C3)C2)c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 233.33 | Num_heavy_atoms: | 17 |
| TPSA: | 37.87 | NumAromaticRings: | 1 |
