Glycoside
...
GD099622

Name:
None

Formula:
C16H21O9N3S2

Smiles:
CC(=O)OC[C@@H]1O[C@H](Sc2nnc(N)s2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1nnc(S)s1

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 2 FractionCSP3: 0.62
AlogP: 0.3 Num_rotatable_bonds: 7
MolWt: 463.49 Num_heavy_atoms: 30
TPSA: 166.23 NumAromaticRings: 1

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
AD42295
Formula: C2H3N3S2

Smiles:
Nc1nnc(S)s1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 0.41 Num_rotatable_bonds: 0
MolWt: 133.2 Num_heavy_atoms: 7
TPSA: 51.8 NumAromaticRings: 1

Sugarmoiety
SD00012

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