Glycoside
...
GD095706

Name:
None

Formula:
C20H29O9N3S

Smiles:
N#Cc1ccccc1CN1CCCC[C@@H]1C(=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.N#Cc1ccccc1CN1CCCCC1C(N)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.6
AlogP: -0.01 Num_rotatable_bonds: 7
MolWt: 487.53 Num_heavy_atoms: 33
TPSA: 195.97 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
AD37123
Formula: C14H17ON3

Smiles:
N#Cc1ccccc1CN1CCCCC1C(N)=O
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.43
AlogP: 1.4 Num_rotatable_bonds: 3
MolWt: 243.31 Num_heavy_atoms: 18
TPSA: 70.12 NumAromaticRings: 1

Sugarmoiety
SD00017

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