Glycoside
...
GD012409

Name:
None

Formula:
C25H23O8N2SBr

Smiles:
CC(=O)OCC1OC(n2c(=S)n(-c3ccccc3)c(=O)c3cc(Br)ccc32)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.O=c1c2cc(Br)ccc2[nH]c(=S)n1-c1ccccc1

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

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 0 FractionCSP3: 0.32
AlogP: 3.61 Num_rotatable_bonds: 6
MolWt: 591.44 Num_heavy_atoms: 37
TPSA: 115.06 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
AD09359
Formula: C14H9ON2SBr

Smiles:
O=c1c2cc(Br)ccc2[nH]c(=S)n1-c1ccccc1
HBA: 3 RingCount: 3
HBD: 1 FractionCSP3: 0.0
AlogP: 3.81 Num_rotatable_bonds: 1
MolWt: 333.21 Num_heavy_atoms: 19
TPSA: 37.79 NumAromaticRings: 3

Sugarmoiety
SD00105

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