Glycoside
...
GD002317

Name:
None

Formula:
C25H27O11NS

Smiles:
CC(=O)OC[C@@H]1O[C@H](SC(=O)c2ccc3nc(C)ccc3c2O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1ccc2c(O)c(C(=O)S)ccc2n1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 1 FractionCSP3: 0.44
AlogP: 2.21 Num_rotatable_bonds: 7
MolWt: 549.55 Num_heavy_atoms: 38
TPSA: 164.62 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
AD02223
Formula: C11H9O2NS

Smiles:
Cc1ccc2c(O)c(C(=O)S)ccc2n1
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.09
AlogP: 2.32 Num_rotatable_bonds: 1
MolWt: 219.27 Num_heavy_atoms: 15
TPSA: 50.19 NumAromaticRings: 2

Sugarmoiety
SD00012

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