Glycoside
...
GD094255

Name:
None

Formula:
C18H26O10N2S

Smiles:
Cc1cccc(N2CC[C@@H](C(=O)N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)C2=O)c1

Aglycone:
COS(O)(O)O.Cc1cccc(N2CCC(C(N)=O)C2=O)c1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.56
AlogP: -0.57 Num_rotatable_bonds: 6
MolWt: 462.48 Num_heavy_atoms: 31
TPSA: 189.25 NumAromaticRings: 1

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD34562
Formula: C12H14O2N2

Smiles:
Cc1cccc(N2CCC(C(N)=O)C2=O)c1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.33
AlogP: 0.83 Num_rotatable_bonds: 2
MolWt: 218.26 Num_heavy_atoms: 16
TPSA: 63.4 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O