Glycoside
GD073808
Name:
NoneFormula:
C16H21O7N5Smiles:
O=c1ccn([C@@H]2O[C@@](CO)(n3cc(C4CCOCC4)nn3)[C@@H](O)[C@@H]2O)c(=O)[nH]1Aglycone:
C1=C(C2CCOCC2)N=N[N]1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 395.37 | Num_heavy_atoms: | 28 |
| TPSA: | 164.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD26153
Formula: C7H10ON3
Smiles:
C1=C(C2CCOCC2)N=N[N]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.71 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.18 | Num_heavy_atoms: | 11 |
| TPSA: | 48.05 | NumAromaticRings: | 0 |
