Glycoside
...
GD099737

Name:
None

Formula:
C22H32O8N2S

Smiles:
CN(C)N[C@H]1O[C@@H]([C@@H](O)S(O)(O)O)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1O

Aglycone:
OCS(O)(O)O.OCc1ccccc1.OCc1ccccc1

Sugarmoiety:
CN(C)NC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 6 FractionCSP3: 0.45
AlogP: 1.85 Num_rotatable_bonds: 10
MolWt: 484.57 Num_heavy_atoms: 33
TPSA: 144.11 NumAromaticRings: 2

Unique Aglycone
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD42310
Formula: CH6O4S

Smiles:
OCS(O)(O)O
HBA: 4 RingCount: 0
HBD: 4 FractionCSP3: 1.0
AlogP: 0.16 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD04121

CN(C)NC1OC(O)C(O)C(O)C1O