Glycoside
...
GD089705

Name:
None

Formula:
C19H33O9NS

Smiles:
C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](C(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)(C3)C2

Aglycone:
CC12CC3CC(C)(C1)CC(C(N)=O)(C3)C2.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 10 RingCount: 5
HBD: 7 FractionCSP3: 0.95
AlogP: 1.06 Num_rotatable_bonds: 5
MolWt: 451.54 Num_heavy_atoms: 30
TPSA: 168.94 NumAromaticRings: 0

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
AD39093
Formula: C13H21ON

Smiles:
CC12CC3CC(C)(C1)CC(C(N)=O)(C3)C2
HBA: 2 RingCount: 4
HBD: 2 FractionCSP3: 0.92
AlogP: 2.47 Num_rotatable_bonds: 1
MolWt: 207.32 Num_heavy_atoms: 15
TPSA: 43.09 NumAromaticRings: 0

Sugarmoiety
SD00017

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