Glycoside
...
GD005010

Name:
None

Formula:
C30H29O11N4ClS

Smiles:
CC(=O)OC[C@@H]1O[C@H](Sc2nnc(-c3ccccc3O)n2N=Cc2cc(Cl)ccc2O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Oc1ccc(Cl)cc1C=Nn1c(S)nnc1-c1ccccc1O

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 2 FractionCSP3: 0.34
AlogP: 3.07 Num_rotatable_bonds: 10
MolWt: 677.09 Num_heavy_atoms: 46
TPSA: 197.96 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
AD04296
Formula: C16H11O2N4ClS

Smiles:
Oc1ccc(Cl)cc1C=Nn1c(S)nnc1-c1ccccc1O
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 3.18 Num_rotatable_bonds: 3
MolWt: 346.8 Num_heavy_atoms: 23
TPSA: 83.53 NumAromaticRings: 3

Sugarmoiety
SD00012

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