Glycoside
...
GD094425

Name:
None

Formula:
C18H25O10N3S

Smiles:
Cc1c(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c(=O)n(-c2ccccc2)n1C

Aglycone:
COS(O)(O)O.Cc1c(C(N)=O)c(=O)n(-c2ccccc2)n1C

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.44
AlogP: -0.82 Num_rotatable_bonds: 6
MolWt: 475.48 Num_heavy_atoms: 32
TPSA: 195.87 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
AD34638
Formula: C12H13O2N3

Smiles:
Cc1c(C(N)=O)c(=O)n(-c2ccccc2)n1C
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.17
AlogP: 0.58 Num_rotatable_bonds: 2
MolWt: 231.26 Num_heavy_atoms: 17
TPSA: 70.02 NumAromaticRings: 2

Sugarmoiety
SD00017

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