Glycoside
...
GD008255

Name:
None

Formula:
C21H24O7N2S3

Smiles:
CC(=O)OC[C@@H]1O[C@H](Sc2nc3sc4c(c3c(=S)[nH]2)CCCC4)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.S=c1[nH]c(S)nc2sc3c(c12)CCCC3

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

Other Identifiers

Properties
HBA: 9 RingCount: 4
HBD: 1 FractionCSP3: 0.57
AlogP: 3.48 Num_rotatable_bonds: 6
MolWt: 512.63 Num_heavy_atoms: 33
TPSA: 116.81 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
AD00531
Formula: C10H10N2S3

Smiles:
S=c1[nH]c(S)nc2sc3c(c12)CCCC3
HBA: 2 RingCount: 3
HBD: 1 FractionCSP3: 0.4
AlogP: 3.52 Num_rotatable_bonds: 0
MolWt: 254.4 Num_heavy_atoms: 15
TPSA: 28.68 NumAromaticRings: 2

Sugarmoiety
SD00105

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