Glycoside
...
GD018355

Name:
SORBINICATE

Formula:
C42H32O12N6

Smiles:
O=C(OC[C@H](OC(=O)c1cccnc1)[C@H](OC(=O)c1cccnc1)[C@H](OC(=O)c1cccnc1)[C@H](COC(=O)c1cccnc1)OC(=O)c1cccnc1)c1cccnc1

Aglycone:
O=Cc1cccnc1.O=Cc1cccnc1.O=Cc1cccnc1.O=Cc1cccnc1.O=Cc1cccnc1.O=Cc1cccnc1

Sugarmoiety:
OOCC(OO)C(OO)C(OO)C(COO)OO

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 0 FractionCSP3: 0.14
AlogP: 3.97 Num_rotatable_bonds: 17
MolWt: 812.75 Num_heavy_atoms: 60
TPSA: 235.14 NumAromaticRings: 6

Unique Aglycone
AD12964
Formula: C6H5ON

Smiles:
O=Cc1cccnc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 0.89 Num_rotatable_bonds: 1
MolWt: 107.11 Num_heavy_atoms: 8
TPSA: 29.96 NumAromaticRings: 1

Sugarmoiety
SD01429

OOCC(OO)C(OO)C(OO)C(COO)OO