Glycoside
GD095009
Name:
NoneFormula:
C22H30O8N2Smiles:
O=C(NC[C@H]1CCC[C@]2(CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2)O1)c1ccccc1Aglycone:
O=C(NCC1CCCC2(CCNC2)O1)c1ccccc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 8 |
| MolWt: | 450.49 | Num_heavy_atoms: | 32 |
| TPSA: | 156.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD40592
Formula: C16H22O2N2
Smiles:
O=C(NCC1CCCC2(CCNC2)O1)c1ccccc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 3 |
| MolWt: | 274.36 | Num_heavy_atoms: | 20 |
| TPSA: | 50.36 | NumAromaticRings: | 1 |
