Glycoside
...
GD002857

Name:
None

Formula:
C21H29O12NS3

Smiles:
C[S+]([O-])CCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](COC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
COC(=O)C=Cc1ccc(O)cc1.C[S+]([O-])CCCCC(S)=NOS(=O)(=O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 5 FractionCSP3: 0.52
AlogP: 0.17 Num_rotatable_bonds: 12
MolWt: 583.66 Num_heavy_atoms: 37
TPSA: 215.47 NumAromaticRings: 1

Unique Aglycone
AD00020
Formula: C10H10O3

Smiles:
COC(=O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.1
AlogP: 1.58 Num_rotatable_bonds: 2
MolWt: 178.19 Num_heavy_atoms: 13
TPSA: 46.53 NumAromaticRings: 1
AD02674
Formula: C6H13O5NS3

Smiles:
C[S+]([O-])CCCCC(S)=NOS(=O)(=O)O
HBA: 6 RingCount: 0
HBD: 1 FractionCSP3: 0.83
AlogP: 0.6 Num_rotatable_bonds: 7
MolWt: 275.37 Num_heavy_atoms: 15
TPSA: 99.02 NumAromaticRings: 0

Sugarmoiety
SD00017

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