Glycoside
...
GD087517

Name:
None

Formula:
C17H25O10NS

Smiles:
CC1(C)Cc2c(cccc2C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)O1

Aglycone:
CC1(C)Cc2c(cccc2C(N)=O)O1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.59
AlogP: 0.09 Num_rotatable_bonds: 5
MolWt: 435.45 Num_heavy_atoms: 29
TPSA: 178.17 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
AD31598
Formula: C11H13O2N

Smiles:
CC1(C)Cc2c(cccc2C(N)=O)O1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.36
AlogP: 1.5 Num_rotatable_bonds: 1
MolWt: 191.23 Num_heavy_atoms: 14
TPSA: 52.32 NumAromaticRings: 1

Sugarmoiety
SD00017

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