Glycoside
...
GD019296

Name:
None

Formula:
C25H30O9N2S3

Smiles:
CC(=O)OC[C@@H]1O[C@H](Sc2nc3sc4c(c3c(=S)[nH]2)CCCCC4)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.S=c1[nH]c(S)nc2sc3c(c12)CCCCC3

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

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 1 FractionCSP3: 0.6
AlogP: 3.8 Num_rotatable_bonds: 7
MolWt: 598.72 Num_heavy_atoms: 39
TPSA: 143.11 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
AD06616
Formula: C11H12N2S3

Smiles:
S=c1[nH]c(S)nc2sc3c(c12)CCCCC3
HBA: 2 RingCount: 3
HBD: 1 FractionCSP3: 0.45
AlogP: 3.91 Num_rotatable_bonds: 0
MolWt: 268.43 Num_heavy_atoms: 16
TPSA: 28.68 NumAromaticRings: 2

Sugarmoiety
SD00012

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