Glycoside
...
GD094050

Name:
None

Formula:
C17H29O11NS

Smiles:
COC(=O)[C@]12CC[C@](C(=O)N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)(CC1)CC2

Aglycone:
COC(=O)C12CCC(C(N)=O)(CC1)CC2.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 7 FractionCSP3: 0.88
AlogP: -0.42 Num_rotatable_bonds: 6
MolWt: 455.48 Num_heavy_atoms: 30
TPSA: 195.24 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
AD40493
Formula: C11H17O3N

Smiles:
COC(=O)C12CCC(C(N)=O)(CC1)CC2
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.82
AlogP: 0.99 Num_rotatable_bonds: 2
MolWt: 211.26 Num_heavy_atoms: 15
TPSA: 69.39 NumAromaticRings: 0

Sugarmoiety
SD00017

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