Glycoside
GD095019
Name:
NoneFormula:
C23H31O8N3Smiles:
CN(C)C(=O)CN1CC[C@]2(CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@H]2c2ccccc2)C1=OAglycone:
CN(C)C(=O)CN1CCC2(CNCC2c2ccccc2)C1=OSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -2.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 477.51 | Num_heavy_atoms: | 34 |
| TPSA: | 158.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD40594
Formula: C17H23O2N3
Smiles:
CN(C)C(=O)CN1CCC2(CNCC2c2ccccc2)C1=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 301.39 | Num_heavy_atoms: | 22 |
| TPSA: | 52.65 | NumAromaticRings: | 1 |
