Glycoside
GD095007
Name:
NoneFormula:
C20H24O9N4Smiles:
O=C(NCc1cc(=O)n2c(n1)CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CCC2)c1ccco1Aglycone:
O=C(NCc1cc(=O)n2c(n1)CNCCC2)c1ccco1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -2.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 464.43 | Num_heavy_atoms: | 33 |
| TPSA: | 195.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD40591
Formula: C14H16O3N4
Smiles:
O=C(NCc1cc(=O)n2c(n1)CNCCC2)c1ccco1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.31 | Num_heavy_atoms: | 21 |
| TPSA: | 89.16 | NumAromaticRings: | 2 |
