Glycoside
...
GD088887

Name:
None

Formula:
C16H21O10N3S

Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1cc(=O)n(-c2ccccc2)[nH]1

Aglycone:
COS(O)(O)O.NC(=O)c1cc(=O)n(-c2ccccc2)[nH]1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 8 FractionCSP3: 0.38
AlogP: -1.14 Num_rotatable_bonds: 6
MolWt: 447.42 Num_heavy_atoms: 30
TPSA: 206.73 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
AD38875
Formula: C10H9O2N3

Smiles:
NC(=O)c1cc(=O)n(-c2ccccc2)[nH]1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: 0.26 Num_rotatable_bonds: 2
MolWt: 203.2 Num_heavy_atoms: 15
TPSA: 80.88 NumAromaticRings: 2

Sugarmoiety
SD00017

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