Glycoside
...
GD001495

Name:
None

Formula:
C32H44O10N2S2

Smiles:
CSCCC(C(=O)O)N(C)C(=O)[C@@H](OCc1ccccc1)[C@@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)C(CCSC)C(=O)O

Aglycone:
CNC(CCSC)C(=O)O.CNC(CCSC)C(=O)O.Cc1ccccc1.Cc1ccccc1

Sugarmoiety:
O=C(O)C(O)C(O)C(O)C(O)C(=O)O

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 4 FractionCSP3: 0.5
AlogP: 2.21 Num_rotatable_bonds: 21
MolWt: 680.84 Num_heavy_atoms: 46
TPSA: 174.14 NumAromaticRings: 2

Unique Aglycone
AD00274
Formula: C7H8

Smiles:
Cc1ccccc1
HBA: 0 RingCount: 1
HBD: 0 FractionCSP3: 0.14
AlogP: 2.0 Num_rotatable_bonds: 0
MolWt: 92.14 Num_heavy_atoms: 7
TPSA: 0.0 NumAromaticRings: 1
AD01493
Formula: C6H13O2NS

Smiles:
CNC(CCSC)C(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.83
AlogP: 0.41 Num_rotatable_bonds: 5
MolWt: 163.24 Num_heavy_atoms: 10
TPSA: 49.33 NumAromaticRings: 0

Sugarmoiety
SD00110

O=C(O)C(O)C(O)C(O)C(O)C(=O)O