Glycoside
...
GD110064

Name:
None

Formula:
C27H29O11NS

Smiles:
CC(=O)OC[C@@H]1O[C@H](NC(=S)Oc2cccc(Oc3ccccc3)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=S)Oc1cccc(Oc2ccccc2)c1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 1 FractionCSP3: 0.37
AlogP: 2.82 Num_rotatable_bonds: 9
MolWt: 575.59 Num_heavy_atoms: 40
TPSA: 144.92 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
AD44613
Formula: C13H11O2NS

Smiles:
NC(=S)Oc1cccc(Oc2ccccc2)c1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 3.1 Num_rotatable_bonds: 3
MolWt: 245.3 Num_heavy_atoms: 17
TPSA: 44.48 NumAromaticRings: 2

Sugarmoiety
SD00012

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