Glycoside
...
GD021163

Name:
None

Formula:
C30H40O12N2

Smiles:
CC(O)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)O

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

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 6 FractionCSP3: 0.47
AlogP: -0.54 Num_rotatable_bonds: 17
MolWt: 620.65 Num_heavy_atoms: 44
TPSA: 214.6 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
AD14506
Formula: C5H11O3N

Smiles:
CNC(C(=O)O)C(C)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 0.8
AlogP: -0.96 Num_rotatable_bonds: 3
MolWt: 133.15 Num_heavy_atoms: 9
TPSA: 69.56 NumAromaticRings: 0

Sugarmoiety
SD00110

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