Glycoside
...
GD003716

Name:
None

Formula:
C28H35O16N10F6P4ClS4

Smiles:
Nc1nc(SCCC(F)(F)F)nc2c1ncn2[C@H]1O[C@@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)nc(SCCC(F)(F)F)nc43)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:
COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC.Nc1nc(SCCC(F)(F)F)nc2c1N=C[N]2.Nc1nc(SCCC(F)(F)F)nc2c1N=C[N]2

Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 6
HBD: 10 FractionCSP3: 0.63
AlogP: 4.19 Num_rotatable_bonds: 20
MolWt: 1157.24 Num_heavy_atoms: 68
TPSA: 384.28 NumAromaticRings: 4

Unique Aglycone
AD03334
Formula: C4H11O10P4ClS2

Smiles:
COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC
HBA: 10 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: 3.28 Num_rotatable_bonds: 8
MolWt: 430.59 Num_heavy_atoms: 20
TPSA: 145.66 NumAromaticRings: 0
AD03335
Formula: C8H7N5F3S

Smiles:
Nc1nc(SCCC(F)(F)F)nc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.38
AlogP: 2.01 Num_rotatable_bonds: 3
MolWt: 262.24 Num_heavy_atoms: 17
TPSA: 78.26 NumAromaticRings: 1

Sugarmoiety
SD00025

OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O