Glycoside

GD098265
Name:
NoneFormula:
C20H28O8N6Smiles:
CC(C)(C)OC(=O)N1CCC[C@H]1c1cn([C@]2(CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)nn1Aglycone:
CC(C)(C)OC(=O)N1CCCC1C1=C[N]N=N1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 4 |
HBD: | 4 | FractionCSP3: | 0.65 |
AlogP: | -1.2 | Num_rotatable_bonds: | 4 |
MolWt: | 480.48 | Num_heavy_atoms: | 34 |
TPSA: | 185.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1HBA: | 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 |
AD41811
Formula: C11H17O2N4
Smiles:
CC(C)(C)OC(=O)N1CCCC1C1=C[N]N=N1HBA: | 6 | RingCount: | 2 |
HBD: | 0 | FractionCSP3: | 0.73 |
AlogP: | 2.21 | Num_rotatable_bonds: | 1 |
MolWt: | 237.28 | Num_heavy_atoms: | 17 |
TPSA: | 68.36 | NumAromaticRings: | 0 |