Glycoside
GD088018
Name:
NoneFormula:
C20H27O8N3Smiles:
O=C(C(=O)N1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
O=C1COC2(CCNCC2)CN1Cc1cccnc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -2.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 437.45 | Num_heavy_atoms: | 31 |
| TPSA: | 160.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD38570
Formula: C14H19O2N3
Smiles:
O=C1COC2(CCNCC2)CN1Cc1cccnc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 261.32 | Num_heavy_atoms: | 19 |
| TPSA: | 54.46 | NumAromaticRings: | 1 |
