Glycoside
...
GD000802

Name:
None

Formula:
C23H25O9NS

Smiles:
CC(=O)OC[C@@H]1O[C@H](Sc2cccc3cccnc23)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Sc1cccc2cccnc12

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 0 FractionCSP3: 0.43
AlogP: 2.41 Num_rotatable_bonds: 7
MolWt: 491.52 Num_heavy_atoms: 34
TPSA: 127.32 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
AD00844
Formula: C9H7NS

Smiles:
Sc1cccc2cccnc12
HBA: 1 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 2.52 Num_rotatable_bonds: 0
MolWt: 161.23 Num_heavy_atoms: 11
TPSA: 12.89 NumAromaticRings: 2

Sugarmoiety
SD00012

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