Glycoside
...
GD018142

Name:
None

Formula:
C22H31O10N8PS

Smiles:
COC(=O)CNP(=O)(OC[C@@H]1O[C@H](n2cnc3c(N(C)NS(C)(=O)=O)nc(N)nc32)[C@@](C)(O)[C@H]1O)Oc1ccccc1

Aglycone:
CN(NS(C)(=O)=O)c1nc(N)nc2c1N=C[N]2.COC(=O)CNP(=O)(OC)Oc1ccccc1

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

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 6 FractionCSP3: 0.45
AlogP: -0.72 Num_rotatable_bonds: 12
MolWt: 630.58 Num_heavy_atoms: 42
TPSA: 242.58 NumAromaticRings: 3

Unique Aglycone
AD02498
Formula: C7H10O2N7S

Smiles:
CN(NS(C)(=O)=O)c1nc(N)nc2c1N=C[N]2
HBA: 9 RingCount: 2
HBD: 3 FractionCSP3: 0.29
AlogP: -1.13 Num_rotatable_bonds: 3
MolWt: 256.27 Num_heavy_atoms: 17
TPSA: 127.67 NumAromaticRings: 1
AD12851
Formula: C10H14O5NP

Smiles:
COC(=O)CNP(=O)(OC)Oc1ccccc1
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.3
AlogP: 1.58 Num_rotatable_bonds: 6
MolWt: 259.2 Num_heavy_atoms: 17
TPSA: 73.86 NumAromaticRings: 1

Sugarmoiety
SD00027

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