Glycoside
...
GD016564

Name:
None

Formula:
C24H25O10NS2

Smiles:
CC(=O)OCC1OC(SC2=NC(=O)C(=Cc3ccccc3)S2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.O=C1N=C(S)SC1=Cc1ccccc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 0 FractionCSP3: 0.42
AlogP: 2.47 Num_rotatable_bonds: 7
MolWt: 551.6 Num_heavy_atoms: 37
TPSA: 143.86 NumAromaticRings: 1

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
AD11910
Formula: C10H7ONS2

Smiles:
O=C1N=C(S)SC1=Cc1ccccc1
HBA: 2 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 2.59 Num_rotatable_bonds: 1
MolWt: 221.31 Num_heavy_atoms: 14
TPSA: 29.43 NumAromaticRings: 1

Sugarmoiety
SD00012

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