Glycoside
...
GD094043

Name:
None

Formula:
C19H29O10NS

Smiles:
COc1ccc2c(c1)CC[C@@H](CC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)C2

Aglycone:
COS(O)(O)O.COc1ccc2c(c1)CCC(CC(N)=O)C2

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.63
AlogP: 0.27 Num_rotatable_bonds: 7
MolWt: 463.51 Num_heavy_atoms: 31
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
AD40492
Formula: C13H17O2N

Smiles:
COc1ccc2c(c1)CCC(CC(N)=O)C2
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.46
AlogP: 1.68 Num_rotatable_bonds: 3
MolWt: 219.28 Num_heavy_atoms: 16
TPSA: 52.32 NumAromaticRings: 1

Sugarmoiety
SD00017

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