Glycoside
...
GD002256

Name:
None

Formula:
C23H29O10N3S

Smiles:
COc1ccc(C=NNC(=S)N[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1

Aglycone:
COC(C)=O.COc1ccc(C=NNC(N)=S)cc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 2 FractionCSP3: 0.48
AlogP: 0.58 Num_rotatable_bonds: 9
MolWt: 539.56 Num_heavy_atoms: 37
TPSA: 160.08 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
AD02175
Formula: C9H11ON3S

Smiles:
COc1ccc(C=NNC(N)=S)cc1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.11
AlogP: 0.86 Num_rotatable_bonds: 3
MolWt: 209.27 Num_heavy_atoms: 14
TPSA: 59.64 NumAromaticRings: 1

Sugarmoiety
SD00012

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