Glycoside
...
GD095473

Name:
None

Formula:
C20H33O9N2S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H]([NH2+][C@@H]2C[C@H]3COC[C@@H](C2)N3Cc2ccccc2)[C@H]1O

Aglycone:
COS(O)(O)O.[NH3+]C1CC2COCC(C1)N2Cc1ccccc1

Sugarmoiety:
OC1OC(O)C([OH2+])C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 8 FractionCSP3: 0.7
AlogP: -1.06 Num_rotatable_bonds: 7
MolWt: 477.56 Num_heavy_atoms: 32
TPSA: 168.92 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
AD40743
Formula: C14H21ON2

Smiles:
[NH3+]C1CC2COCC(C1)N2Cc1ccccc1
HBA: 3 RingCount: 3
HBD: 3 FractionCSP3: 0.57
AlogP: 0.66 Num_rotatable_bonds: 2
MolWt: 233.34 Num_heavy_atoms: 17
TPSA: 40.11 NumAromaticRings: 1

Sugarmoiety
SD03900

OC1OC(O)C([OH2+])C(O)C1O