Glycoside

GD100705
Name:
NoneFormula:
C21H20O6N5ClSmiles:
O=C(O)C1(c2ccc(Nc3nc(Cl)nc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)CC1Aglycone:
O=C(O)C1(c2ccc(Nc3nc(Cl)nc4c3N=C[N]4)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 5 |
HBD: | 5 | FractionCSP3: | 0.4 |
AlogP: | 0.95 | Num_rotatable_bonds: | 6 |
MolWt: | 461.86 | Num_heavy_atoms: | 32 |
TPSA: | 162.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD42522
Formula: C16H11O2N5Cl
Smiles:
O=C(O)C1(c2ccc(Nc3nc(Cl)nc4c3N=C[N]4)cc2)CC1HBA: | 7 | RingCount: | 4 |
HBD: | 2 | FractionCSP3: | 0.2 |
AlogP: | 2.9 | Num_rotatable_bonds: | 4 |
MolWt: | 328.74 | Num_heavy_atoms: | 23 |
TPSA: | 101.57 | NumAromaticRings: | 2 |