Glycoside
GD095212
Name:
NoneFormula:
C20H26O8N4Smiles:
O=C(NCc1ccncc1)C1=NO[C@]2(CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2)C1Aglycone:
O=C(NCc1ccncc1)C1=NOC2(CCCNC2)C1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 450.45 | Num_heavy_atoms: | 32 |
| TPSA: | 181.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD40640
Formula: C14H18O2N4
Smiles:
O=C(NCc1ccncc1)C1=NOC2(CCCNC2)C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 274.32 | Num_heavy_atoms: | 20 |
| TPSA: | 75.61 | NumAromaticRings: | 1 |
