Glycoside
...
GD106898

Name:
None

Formula:
C25H33O9N3S

Smiles:
CC(=O)OC[C@@H]1O[C@H](NC(=S)N2CCN(c3ccccc3)CC2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=S)N1CCN(c2ccccc2)CC1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 1 FractionCSP3: 0.56
AlogP: 0.77 Num_rotatable_bonds: 7
MolWt: 551.62 Num_heavy_atoms: 38
TPSA: 132.94 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
AD44235
Formula: C11H15N3S

Smiles:
NC(=S)N1CCN(c2ccccc2)CC1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.36
AlogP: 1.05 Num_rotatable_bonds: 1
MolWt: 221.33 Num_heavy_atoms: 15
TPSA: 32.5 NumAromaticRings: 1

Sugarmoiety
SD00012

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