Glycoside
...
GD030753

Name:
None

Formula:
C24H32O7N7PS

Smiles:
CSCCOP(=O)(NCCc1c[nH]c2ccccc12)OC[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@](C)(O)[C@H]1O

Aglycone:
COP(=O)(NCCc1c[nH]c2ccccc12)OCCSC.Nc1nc2c(c(=O)[nH]1)N=C[N]2

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 7 FractionCSP3: 0.46
AlogP: 1.53 Num_rotatable_bonds: 12
MolWt: 593.6 Num_heavy_atoms: 40
TPSA: 202.63 NumAromaticRings: 4

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
AD08909
Formula: C14H21O3N2PS

Smiles:
COP(=O)(NCCc1c[nH]c2ccccc12)OCCSC
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.43
AlogP: 3.43 Num_rotatable_bonds: 9
MolWt: 328.37 Num_heavy_atoms: 21
TPSA: 63.35 NumAromaticRings: 2

Sugarmoiety
SD00027

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