Glycoside
...
GD098914

Name:
None

Formula:
C18H23O9N3S

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(NC3CSC3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1[nH]cc(NC2CSC2)c(=O)[nH]1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.61
AlogP: -0.61 Num_rotatable_bonds: 7
MolWt: 457.46 Num_heavy_atoms: 31
TPSA: 155.02 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
AD42083
Formula: C7H9O2N3S

Smiles:
O=c1[nH]cc(NC2CSC2)c(=O)[nH]1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.43
AlogP: -0.41 Num_rotatable_bonds: 2
MolWt: 199.23 Num_heavy_atoms: 13
TPSA: 77.75 NumAromaticRings: 1

Sugarmoiety
SD00105

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