Glycoside
...
GD017191

Name:
None

Formula:
C30H36O10N8PClS

Smiles:
CC(NP(=O)(OC[C@@H]1O[C@H](n2cnc3c(N(C)NS(C)(=O)=O)nc(N)nc32)[C@@](C)(O)[C@H]1O)Oc1ccc(Cl)cc1)C(=O)OCc1ccccc1

Aglycone:
CN(NS(C)(=O)=O)c1nc(N)nc2c1N=C[N]2.COP(=O)(NC(C)C(=O)OCc1ccccc1)Oc1ccc(Cl)cc1

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

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 6 FractionCSP3: 0.38
AlogP: 1.9 Num_rotatable_bonds: 14
MolWt: 755.15 Num_heavy_atoms: 50
TPSA: 242.58 NumAromaticRings: 4

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
AD12299
Formula: C18H19O5NPCl

Smiles:
COP(=O)(NC(C)C(=O)OCc1ccccc1)Oc1ccc(Cl)cc1
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.24
AlogP: 4.19 Num_rotatable_bonds: 8
MolWt: 383.77 Num_heavy_atoms: 25
TPSA: 73.86 NumAromaticRings: 2

Sugarmoiety
SD00027

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