Glycoside
...
GD014170

Name:
None

Formula:
C46H41O16N3S

Smiles:
CC(CNC(=O)[C@@H]1O[C@H](Oc2cc3oc(-c4ccc(OCc5ccccc5)cc4)cc(=O)c3c(O)c2OCc2ccccc2)[C@H](O)[C@H](O)[C@H]1O)Oc1no[n+]([O-])c1S(=O)(=O)c1ccccc1

Aglycone:
CC(CNC=O)Oc1no[n+]([O-])c1S(=O)(=O)c1ccccc1.O=c1cc(-c2ccc(OCc3ccccc3)cc2)oc2cc(O)c(OCc3ccccc3)c(O)c12

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 5 FractionCSP3: 0.22
AlogP: 3.55 Num_rotatable_bonds: 16
MolWt: 923.91 Num_heavy_atoms: 66
TPSA: 273.49 NumAromaticRings: 7

Unique Aglycone
AD04640
Formula: C29H22O6

Smiles:
O=c1cc(-c2ccc(OCc3ccccc3)cc2)oc2cc(O)c(OCc3ccccc3)c(O)c12
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.07
AlogP: 6.03 Num_rotatable_bonds: 7
MolWt: 466.49 Num_heavy_atoms: 35
TPSA: 89.13 NumAromaticRings: 5
AD04699
Formula: C12H13O6N3S

Smiles:
CC(CNC=O)Oc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
HBA: 9 RingCount: 2
HBD: 1 FractionCSP3: 0.25
AlogP: -0.35 Num_rotatable_bonds: 7
MolWt: 327.32 Num_heavy_atoms: 22
TPSA: 125.44 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O