Glycoside

GD023719
Name:
NoneFormula:
C25H24O5N6Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NC(=O)c4ccc(-c5ccccc5)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.O=C(Nc1ncnc2c1N=C[N]2)c1ccc(-c2ccccc2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 0.24 |
AlogP: | 1.5 | Num_rotatable_bonds: | 6 |
MolWt: | 488.5 | Num_heavy_atoms: | 36 |
TPSA: | 151.49 | NumAromaticRings: | 4 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=OHBA: | 2 | RingCount: | 0 |
HBD: | 1 | FractionCSP3: | 0.67 |
AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
MolWt: | 73.09 | Num_heavy_atoms: | 5 |
TPSA: | 29.1 | NumAromaticRings: | 0 |
AD15928
Formula: C18H12ON5
Smiles:
O=C(Nc1ncnc2c1N=C[N]2)c1ccc(-c2ccccc2)cc1HBA: | 6 | RingCount: | 4 |
HBD: | 1 | FractionCSP3: | 0.0 |
AlogP: | 3.31 | Num_rotatable_bonds: | 3 |
MolWt: | 314.33 | Num_heavy_atoms: | 24 |
TPSA: | 81.34 | NumAromaticRings: | 3 |