Glycoside
...
GD029505

Name:
None

Formula:
C23H26O11N3SI

Smiles:
CC(=O)OC[C@@H]1O[C@H](S(=O)(=O)Cc2nnn(-c3ccccc3)c2I)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=[S](=O)Cc1nnn(-c2ccccc2)c1I

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 0 FractionCSP3: 0.48
AlogP: 0.87 Num_rotatable_bonds: 9
MolWt: 679.44 Num_heavy_atoms: 39
TPSA: 179.28 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD11395
Formula: C9H7O2N3SI

Smiles:
O=[S](=O)Cc1nnn(-c2ccccc2)c1I
HBA: 5 RingCount: 2
HBD: 0 FractionCSP3: 0.11
AlogP: 1.25 Num_rotatable_bonds: 3
MolWt: 348.14 Num_heavy_atoms: 16
TPSA: 64.85 NumAromaticRings: 2

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O