Glycoside
...
GD094006

Name:
None

Formula:
C21H26O10N2S

Smiles:
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
COS(O)(O)O.NC(=O)C1CCn2c(C(=O)c3ccccc3)ccc21

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 7 FractionCSP3: 0.43
AlogP: 0.29 Num_rotatable_bonds: 7
MolWt: 498.51 Num_heavy_atoms: 34
TPSA: 190.94 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
AD37527
Formula: C15H14O2N2

Smiles:
NC(=O)C1CCn2c(C(=O)c3ccccc3)ccc21
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.2
AlogP: 1.69 Num_rotatable_bonds: 3
MolWt: 254.29 Num_heavy_atoms: 19
TPSA: 65.09 NumAromaticRings: 2

Sugarmoiety
SD00017

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