Glycoside

GD036495
Name:
NoneFormula:
C34H50O22N8Smiles:
O=c1c(NCc2cn([C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)c(NCc2cn([C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)c1=OAglycone:
O=c1c(NCC2=C[N]N=N2)c(NCC2=C[N]N=N2)c1=OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 30 | RingCount: | 7 |
HBD: | 16 | FractionCSP3: | 0.76 |
AlogP: | -10.72 | Num_rotatable_bonds: | 16 |
MolWt: | 922.81 | Num_heavy_atoms: | 64 |
TPSA: | 458.22 | NumAromaticRings: | 3 |
Unique Aglycone
AD23010
Formula: C10H8O2N8
Smiles:
O=c1c(NCC2=C[N]N=N2)c(NCC2=C[N]N=N2)c1=OHBA: | 10 | RingCount: | 3 |
HBD: | 2 | FractionCSP3: | 0.2 |
AlogP: | -0.24 | Num_rotatable_bonds: | 6 |
MolWt: | 272.23 | Num_heavy_atoms: | 20 |
TPSA: | 135.84 | NumAromaticRings: | 1 |