Glycoside
...
GD111616

Name:
None

Formula:
C31H29O10N2ClS

Smiles:
CC(=O)OC[C@@H]1O[C@H](SC2=N/C(=C\c3ccc(Cl)cc3)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C1C(=Cc2ccc(Cl)cc2)N=C(S)N1c1ccccc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 0 FractionCSP3: 0.33
AlogP: 3.9 Num_rotatable_bonds: 8
MolWt: 645.09 Num_heavy_atoms: 44
TPSA: 147.1 NumAromaticRings: 2

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
AD44726
Formula: C17H11ON2ClS

Smiles:
O=C1C(=Cc2ccc(Cl)cc2)N=C(S)N1c1ccccc1
HBA: 3 RingCount: 3
HBD: 0 FractionCSP3: 0.0
AlogP: 4.01 Num_rotatable_bonds: 2
MolWt: 314.8 Num_heavy_atoms: 21
TPSA: 32.67 NumAromaticRings: 2

Sugarmoiety
SD00012

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