Glycoside
...
GD026802

Name:
None

Formula:
C26H32O10N2S2

Smiles:
CC(=O)OC[C@@H]1O[C@H](Sc2nc3sc4c(c3c(=O)n2C)CCCCC4)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Cn1c(S)nc2sc3c(c2c1=O)CCCCC3

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 0 FractionCSP3: 0.62
AlogP: 2.44 Num_rotatable_bonds: 7
MolWt: 596.68 Num_heavy_atoms: 40
TPSA: 149.32 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
AD17650
Formula: C12H14ON2S2

Smiles:
Cn1c(S)nc2sc3c(c2c1=O)CCCCC3
HBA: 3 RingCount: 3
HBD: 0 FractionCSP3: 0.5
AlogP: 2.55 Num_rotatable_bonds: 0
MolWt: 266.39 Num_heavy_atoms: 17
TPSA: 34.89 NumAromaticRings: 2

Sugarmoiety
SD00012

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