Glycoside
...
GD034091

Name:
None

Formula:
C26H33O16N10P4ClS4

Smiles:
CCSc1nc(N)c2ncn([C@H]3O[C@@H](COP(=O)([S-])OP(=O)([O-])C(Cl)P(=O)([O-])OP(=O)([S-])OC[C@H]4O[C@@H](n5cnc6c(N)nc(SCC)nc65)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c2n1

Aglycone:
CCSc1nc(N)c2c(n1)[N]C=N2.CCSc1nc(N)c2c(n1)[N]C=N2.COP(=O)([S-])OP(=O)([O-])C(Cl)P(=O)([O-])OP(=O)([S-])OC

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

Other Identifiers

Properties
HBA: 26 RingCount: 6
HBD: 8 FractionCSP3: 0.6
AlogP: 0.3 Num_rotatable_bonds: 18
MolWt: 1017.21 Num_heavy_atoms: 60
TPSA: 389.94 NumAromaticRings: 4

Unique Aglycone
AD00071
Formula: C7H8N5S

Smiles:
CCSc1nc(N)c2c(n1)[N]C=N2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.29
AlogP: 1.08 Num_rotatable_bonds: 2
MolWt: 194.24 Num_heavy_atoms: 13
TPSA: 78.26 NumAromaticRings: 1
AD05097
Formula: C4H7O10P4ClS2

Smiles:
COP(=O)([S-])OP(=O)([O-])C(Cl)P(=O)([O-])OP(=O)([S-])OC
HBA: 10 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: 1.25 Num_rotatable_bonds: 8
MolWt: 426.56 Num_heavy_atoms: 20
TPSA: 151.32 NumAromaticRings: 0

Sugarmoiety
SD00025

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