Glycoside

GD014129
Name:
NoneFormula:
C18H24O5N6Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(NC4CCC5OC5C4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCC3OC3C2)[N]1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 0.67 |
AlogP: | -0.69 | Num_rotatable_bonds: | 5 |
MolWt: | 404.43 | Num_heavy_atoms: | 29 |
TPSA: | 146.95 | NumAromaticRings: | 2 |
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 |
AD10441
Formula: C11H12ON5
Smiles:
C1=Nc2c(ncnc2NC2CCC3OC3C2)[N]1HBA: | 6 | RingCount: | 4 |
HBD: | 1 | FractionCSP3: | 0.55 |
AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
MolWt: | 230.25 | Num_heavy_atoms: | 17 |
TPSA: | 76.8 | NumAromaticRings: | 1 |