Glycoside
...
GD025529

Name:
None

Formula:
C34H46O21N2S2

Smiles:
CC(=O)OC[C@@H]1O[C@@H](S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.COC(C)=O.NS(=O)(=O)c1ccc(CCN[S](=O)=O)cc1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 23 RingCount: 3
HBD: 3 FractionCSP3: 0.62
AlogP: -1.58 Num_rotatable_bonds: 17
MolWt: 882.87 Num_heavy_atoms: 59
TPSA: 318.12 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD02009
Formula: C8H11O4N2S2

Smiles:
NS(=O)(=O)c1ccc(CCN[S](=O)=O)cc1
HBA: 6 RingCount: 1
HBD: 3 FractionCSP3: 0.25
AlogP: -0.74 Num_rotatable_bonds: 5
MolWt: 263.32 Num_heavy_atoms: 16
TPSA: 106.33 NumAromaticRings: 1

Sugarmoiety
SD00271

CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O