Glycoside
...
GD010210

Name:
None

Formula:
C23H29O10NS

Smiles:
CC(=O)OC[C@@H]1O[C@H](SCC(=O)NCc2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C(CS)NCc1ccccc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 1 FractionCSP3: 0.52
AlogP: 1.12 Num_rotatable_bonds: 10
MolWt: 511.55 Num_heavy_atoms: 35
TPSA: 143.53 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
AD07928
Formula: C9H11ONS

Smiles:
O=C(CS)NCc1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.22
AlogP: 1.23 Num_rotatable_bonds: 3
MolWt: 181.26 Num_heavy_atoms: 12
TPSA: 29.1 NumAromaticRings: 1

Sugarmoiety
SD00012

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