Glycoside

GD088613
Name:
NoneFormula:
C21H27O8N3Smiles:
COc1ccc(Cn2ccnc(C(=O)NCCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)c2=O)cc1Aglycone:
COc1ccc(Cn2ccnc(C(=O)NCCO)c2=O)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.48 |
AlogP: | -1.13 | Num_rotatable_bonds: | 8 |
MolWt: | 449.46 | Num_heavy_atoms: | 32 |
TPSA: | 152.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD38778
Formula: C15H17O4N3
Smiles:
COc1ccc(Cn2ccnc(C(=O)NCCO)c2=O)cc1HBA: | 7 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.27 |
AlogP: | 0.02 | Num_rotatable_bonds: | 6 |
MolWt: | 303.32 | Num_heavy_atoms: | 22 |
TPSA: | 93.45 | NumAromaticRings: | 2 |