Glycoside
...
GD035595

Name:
None

Formula:
C25H40O10N5PS2

Smiles:
CC(C)(C)C(=O)SCCOP(=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@](C)(O)[C@H]1O

Aglycone:
COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C.Nc1nc2c(c(=O)[nH]1)N=C[N]2

Sugarmoiety:
CC1(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 5 FractionCSP3: 0.72
AlogP: 2.48 Num_rotatable_bonds: 12
MolWt: 665.73 Num_heavy_atoms: 43
TPSA: 218.18 NumAromaticRings: 2

Unique Aglycone
AD00207
Formula: C5H4ON5

Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: -0.74 Num_rotatable_bonds: 0
MolWt: 150.12 Num_heavy_atoms: 11
TPSA: 98.23 NumAromaticRings: 1
AD01206
Formula: C15H29O6PS2

Smiles:
COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C
HBA: 6 RingCount: 0
HBD: 0 FractionCSP3: 0.87
AlogP: 4.39 Num_rotatable_bonds: 9
MolWt: 400.5 Num_heavy_atoms: 24
TPSA: 78.9 NumAromaticRings: 0

Sugarmoiety
SD00027

CC1(O)C(O)OC(O)C1O