Glycoside
...
GD089756

Name:
None

Formula:
C16H21O9N3S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](Nc2cc(Oc3ccccc3)ncn2)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1cc(Oc2ccccc2)ncn1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.38
AlogP: 0.64 Num_rotatable_bonds: 7
MolWt: 431.42 Num_heavy_atoms: 29
TPSA: 186.88 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
AD30058
Formula: C10H9ON3

Smiles:
Nc1cc(Oc2ccccc2)ncn1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 1.85 Num_rotatable_bonds: 2
MolWt: 187.2 Num_heavy_atoms: 14
TPSA: 61.03 NumAromaticRings: 2

Sugarmoiety
SD00017

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