Glycoside
...
GD005544

Name:
None

Formula:
C34H33O16N3S

Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4O[C@H](C(=O)NCC(C)Oc5no[n+]([O-])c5S(=O)(=O)c5ccccc5)[C@H](O)[C@H](O)[C@H]4O)cc3o2)cc1

Aglycone:
CC(CNC=O)Oc1no[n+]([O-])c1S(=O)(=O)c1ccccc1.COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1

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

Other Identifiers

Properties
HBA: 19 RingCount: 6
HBD: 5 FractionCSP3: 0.29
AlogP: 0.41 Num_rotatable_bonds: 12
MolWt: 771.71 Num_heavy_atoms: 54
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
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