Glycoside
...
GD018517

Name:
None

Formula:
C29H40O10N8PClS

Smiles:
CN(NS(C)(=O)=O)c1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(NC(C)(C)C(=O)OC2CCCC2)Oc2ccc(Cl)cc2)[C@H](O)[C@]1(C)O

Aglycone:
CN(NS(C)(=O)=O)c1nc(N)nc2c1N=C[N]2.COP(=O)(NC(C)(C)C(=O)OC1CCCC1)Oc1ccc(Cl)cc1

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

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 6 FractionCSP3: 0.57
AlogP: 2.03 Num_rotatable_bonds: 13
MolWt: 747.17 Num_heavy_atoms: 49
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
AD13053
Formula: C17H23O5NPCl

Smiles:
COP(=O)(NC(C)(C)C(=O)OC1CCCC1)Oc1ccc(Cl)cc1
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.56
AlogP: 4.33 Num_rotatable_bonds: 7
MolWt: 375.79 Num_heavy_atoms: 24
TPSA: 73.86 NumAromaticRings: 1

Sugarmoiety
SD00027

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