Glycoside
...
GD000239

Name:
None

Formula:
C32H44O10N2

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

Aglycone:
CNC(C(=O)O)C(C)C.CNC(C(=O)O)C(C)C.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: 2.01 Num_rotatable_bonds: 17
MolWt: 616.71 Num_heavy_atoms: 44
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
AD00278
Formula: C6H13O2N

Smiles:
CNC(C(=O)O)C(C)C
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.83
AlogP: 0.31 Num_rotatable_bonds: 3
MolWt: 131.17 Num_heavy_atoms: 9
TPSA: 49.33 NumAromaticRings: 0

Sugarmoiety
SD00110

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