Glycoside
...
GD087501

Name:
None

Formula:
C15H21O10N3S

Smiles:
Cn1cc(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c(=O)c2cccn21

Aglycone:
COS(O)(O)O.Cn1cc(C(N)=O)c(=O)c2cccn21

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.47
AlogP: -1.67 Num_rotatable_bonds: 5
MolWt: 435.41 Num_heavy_atoms: 29
TPSA: 195.35 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
AD31592
Formula: C9H9O2N3

Smiles:
Cn1cc(C(N)=O)c(=O)c2cccn21
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.11
AlogP: -0.26 Num_rotatable_bonds: 1
MolWt: 191.19 Num_heavy_atoms: 14
TPSA: 69.5 NumAromaticRings: 2

Sugarmoiety
SD00017

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