Glycoside
...
GD019470

Name:
None

Formula:
C40H44O12N2

Smiles:
CN(C(=O)[C@@H](OCc1ccccc1)[C@@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)C(Cc1ccc(O)cc1)C(=O)O)C(Cc1ccc(O)cc1)C(=O)O

Aglycone:
CNC(Cc1ccc(O)cc1)C(=O)O.CNC(Cc1ccc(O)cc1)C(=O)O.Cc1ccccc1.Cc1ccccc1

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 6 FractionCSP3: 0.3
AlogP: 2.6 Num_rotatable_bonds: 19
MolWt: 744.79 Num_heavy_atoms: 54
TPSA: 214.6 NumAromaticRings: 4

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
AD13588
Formula: C10H13O3N

Smiles:
CNC(Cc1ccc(O)cc1)C(=O)O
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.3
AlogP: 0.61 Num_rotatable_bonds: 4
MolWt: 195.22 Num_heavy_atoms: 14
TPSA: 69.56 NumAromaticRings: 1

Sugarmoiety
SD00110

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