Glycoside
...
GD005546

Name:
None

Formula:
C33H31O16N3S

Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](C(=O)NCCOc5no[n+]([O-])c5S(=O)(=O)c5ccccc5)[C@H](O)[C@H](O)[C@H]4O)cc3o2)cc1

Aglycone:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1.O=CNCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1

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

Other Identifiers

Properties
HBA: 19 RingCount: 6
HBD: 5 FractionCSP3: 0.27
AlogP: 0.02 Num_rotatable_bonds: 12
MolWt: 757.68 Num_heavy_atoms: 53
TPSA: 273.49 NumAromaticRings: 5

Unique Aglycone
AD00146
Formula: C17H14O6

Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.12
AlogP: 2.89 Num_rotatable_bonds: 3
MolWt: 314.29 Num_heavy_atoms: 23
TPSA: 89.13 NumAromaticRings: 3
AD04701
Formula: C11H11O6N3S

Smiles:
O=CNCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
HBA: 9 RingCount: 2
HBD: 1 FractionCSP3: 0.18
AlogP: -0.73 Num_rotatable_bonds: 7
MolWt: 313.29 Num_heavy_atoms: 21
TPSA: 125.44 NumAromaticRings: 2

Sugarmoiety
SD00017

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