Glycoside
GD004941
Name:
NoneFormula:
C22H27O7N7SSmiles:
CNC(=O)N1CCN(Cc2ccnc(N(c3ncc([14C]#N)s3)C3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c2)CC1Aglycone:
CNC(=O)N1CCN(Cc2ccnc(Nc3ncc(C#N)s3)c2)CC1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 535.56 | Num_heavy_atoms: | 37 |
| TPSA: | 195.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD04253
Formula: C16H19ON7S
Smiles:
CNC(=O)N1CCN(Cc2ccnc(Nc3ncc(C#N)s3)c2)CC1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 357.44 | Num_heavy_atoms: | 25 |
| TPSA: | 97.18 | NumAromaticRings: | 2 |
