Glycoside
GD064842
Name:
NoneFormula:
C15H22O6N4Smiles:
O=C(C(=O)N1CC2(CN(Cc3cn[nH]c3)C2)C1)[C@H](O)[C@H](O)[C@H](O)COAglycone:
c1n[nH]cc1CN1CC2(CNC2)C1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -3.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 354.36 | Num_heavy_atoms: | 25 |
| TPSA: | 150.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD31201
Formula: C9H14N4
Smiles:
c1n[nH]cc1CN1CC2(CNC2)C1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.24 | Num_heavy_atoms: | 13 |
| TPSA: | 43.95 | NumAromaticRings: | 1 |
