Glycoside
...
GD034787

Name:
None

Formula:
C27H27O9N4ClS

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cc(CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)nn2)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=S(=O)(c1ccccc1)N(CC1=C[N]N=N1)c1ccc(Cl)cc1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 0 FractionCSP3: 0.35
AlogP: 2.65 Num_rotatable_bonds: 10
MolWt: 607.04 Num_heavy_atoms: 41
TPSA: 156.22 NumAromaticRings: 3

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD19955
Formula: C16H12O2N4ClS

Smiles:
O=S(=O)(c1ccccc1)N(CC1=C[N]N=N1)c1ccc(Cl)cc1
HBA: 6 RingCount: 3
HBD: 0 FractionCSP3: 0.07
AlogP: 3.36 Num_rotatable_bonds: 5
MolWt: 347.81 Num_heavy_atoms: 23
TPSA: 76.2 NumAromaticRings: 2

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O