Glycoside
...
GD094598

Name:
None

Formula:
C19H27O10N3S

Smiles:
COc1ccccc1-n1nc(C)c(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c1C

Aglycone:
COS(O)(O)O.COc1ccccc1-n1nc(C)c(C(N)=O)c1C

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.47
AlogP: 0.19 Num_rotatable_bonds: 7
MolWt: 489.5 Num_heavy_atoms: 33
TPSA: 195.99 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
AD37883
Formula: C13H15O2N3

Smiles:
COc1ccccc1-n1nc(C)c(C(N)=O)c1C
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.23
AlogP: 1.6 Num_rotatable_bonds: 3
MolWt: 245.28 Num_heavy_atoms: 18
TPSA: 70.14 NumAromaticRings: 2

Sugarmoiety
SD00017

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