Glycoside
...
GD096897

Name:
None

Formula:
C21H29O9N3S

Smiles:
Cc1ccnc(-c2cc(CCCC(=O)N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)ccn2)c1

Aglycone:
COS(O)(O)O.Cc1ccnc(-c2cc(CCCC(N)=O)ccn2)c1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.48
AlogP: 0.85 Num_rotatable_bonds: 9
MolWt: 499.54 Num_heavy_atoms: 34
TPSA: 194.72 NumAromaticRings: 2

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
AD37538
Formula: C15H17ON3

Smiles:
Cc1ccnc(-c2cc(CCCC(N)=O)ccn2)c1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.27
AlogP: 2.26 Num_rotatable_bonds: 5
MolWt: 255.32 Num_heavy_atoms: 19
TPSA: 68.87 NumAromaticRings: 2

Sugarmoiety
SD00017

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