Glycoside
...
GD098596

Name:
None

Formula:
C19H23O10N3S

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(N[C@H]3CCSC3=O)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C1SCCC1Nc1c[nH]c(=O)[nH]c1=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 2 FractionCSP3: 0.58
AlogP: -0.7 Num_rotatable_bonds: 7
MolWt: 485.47 Num_heavy_atoms: 33
TPSA: 172.09 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
AD41931
Formula: C8H9O3N3S

Smiles:
O=C1SCCC1Nc1c[nH]c(=O)[nH]c1=O
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.38
AlogP: -0.49 Num_rotatable_bonds: 2
MolWt: 227.25 Num_heavy_atoms: 15
TPSA: 94.82 NumAromaticRings: 1

Sugarmoiety
SD00105

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