Glycoside
GD086796
Name:
NoneFormula:
C18H26O9N4Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cc3n(n2)CCCN(CC(=O)O)C3=O)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(O)CN1CCCn2nc(C(=O)NCCO)cc2C1=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -2.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 442.43 | Num_heavy_atoms: | 31 |
| TPSA: | 183.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD38359
Formula: C12H16O5N4
Smiles:
O=C(O)CN1CCCn2nc(C(=O)NCCO)cc2C1=O| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 296.28 | Num_heavy_atoms: | 21 |
| TPSA: | 124.76 | NumAromaticRings: | 1 |
