Glycoside
...
GD006077

Name:
None

Formula:
C25H35O9N6PS

Smiles:
CC(C)(CO)C(=O)SCCOP(=O)(NCc1ccccc1)OC[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@](C)(O)[C@H]1O

Aglycone:
COP(=O)(NCc1ccccc1)OCCSC(=O)C(C)(C)CO.Nc1nc2c(c(=O)[nH]1)N=C[N]2

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 7 FractionCSP3: 0.52
AlogP: 0.92 Num_rotatable_bonds: 13
MolWt: 626.63 Num_heavy_atoms: 42
TPSA: 224.14 NumAromaticRings: 3

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
AD05063
Formula: C15H24O5NPS

Smiles:
COP(=O)(NCc1ccccc1)OCCSC(=O)C(C)(C)CO
HBA: 6 RingCount: 1
HBD: 2 FractionCSP3: 0.53
AlogP: 2.83 Num_rotatable_bonds: 10
MolWt: 361.4 Num_heavy_atoms: 23
TPSA: 84.86 NumAromaticRings: 1

Sugarmoiety
SD00027

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