Glycoside
GD079100
Name:
NoneFormula:
C17H27O5N7Smiles:
CC(C)N1CCN(c2nc3c(=O)[nH]c(N)nc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1Aglycone:
CC(C)N1CCN(C2=Nc3c(nc(N)[nH]c3=O)[N]2)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 409.45 | Num_heavy_atoms: | 29 |
| TPSA: | 165.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD36268
Formula: C12H18ON7
Smiles:
CC(C)N1CCN(C2=Nc3c(nc(N)[nH]c3=O)[N]2)CC1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 276.32 | Num_heavy_atoms: | 20 |
| TPSA: | 104.71 | NumAromaticRings: | 1 |
