Glycoside
...
GD094048

Name:
None

Formula:
C18H34O11N2S

Smiles:
CC(C)(C)OC(=O)N1CC[C@](C)(CC(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)C1

Aglycone:
CC1(CC(N)=O)CCN(C(=O)OC(C)(C)C)C1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 7 FractionCSP3: 0.89
AlogP: 0.1 Num_rotatable_bonds: 6
MolWt: 486.54 Num_heavy_atoms: 32
TPSA: 198.48 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
AD36839
Formula: C12H22O3N2

Smiles:
CC1(CC(N)=O)CCN(C(=O)OC(C)(C)C)C1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.83
AlogP: 1.51 Num_rotatable_bonds: 2
MolWt: 242.32 Num_heavy_atoms: 17
TPSA: 72.63 NumAromaticRings: 0

Sugarmoiety
SD00017

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