Glycoside
...
GD079314

Name:
None

Formula:
C16H25O9NS

Smiles:
COc1ccc2c(c1)C[C@H](N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)C2

Aglycone:
COS(O)(O)O.COc1ccc2c(c1)CC(N)C2

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 7 FractionCSP3: 0.62
AlogP: -0.29 Num_rotatable_bonds: 6
MolWt: 407.44 Num_heavy_atoms: 27
TPSA: 161.1 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
AD27339
Formula: C10H13ON

Smiles:
COc1ccc2c(c1)CC(N)C2
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.4
AlogP: 1.12 Num_rotatable_bonds: 1
MolWt: 163.22 Num_heavy_atoms: 12
TPSA: 35.25 NumAromaticRings: 1

Sugarmoiety
SD00017

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