Glycoside
...
GD110371

Name:
None

Formula:
C27H30O10N2S

Smiles:
CC(=O)OC[C@@H]1O[C@@H](NC(=S)Nc2ccc(Oc3ccccc3)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=S)Nc1ccc(Oc2ccccc2)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.37
AlogP: 2.85 Num_rotatable_bonds: 9
MolWt: 574.61 Num_heavy_atoms: 40
TPSA: 147.72 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
AD44624
Formula: C13H12ON2S

Smiles:
NC(=S)Nc1ccc(Oc2ccccc2)cc1
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: 3.13 Num_rotatable_bonds: 3
MolWt: 244.32 Num_heavy_atoms: 17
TPSA: 47.28 NumAromaticRings: 2

Sugarmoiety
SD00012

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