Glycoside
...
GD003697

Name:
None

Formula:
C21H40O20N2S4

Smiles:
CCN(CC(=O)NC[C@@H]1O[C@H](OC)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O)C(=O)CCCCCCCCCOS(=O)(=O)O

Aglycone:
CCN(CC(=O)NC)C(=O)CCCCCCCCCOS(=O)(=O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:
COC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 1
HBD: 5 FractionCSP3: 0.9
AlogP: -1.17 Num_rotatable_bonds: 23
MolWt: 768.81 Num_heavy_atoms: 47
TPSA: 322.27 NumAromaticRings: 0

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD03322
Formula: C15H30O6N2S

Smiles:
CCN(CC(=O)NC)C(=O)CCCCCCCCCOS(=O)(=O)O
HBA: 8 RingCount: 0
HBD: 2 FractionCSP3: 0.87
AlogP: 1.52 Num_rotatable_bonds: 14
MolWt: 366.48 Num_heavy_atoms: 24
TPSA: 113.01 NumAromaticRings: 0

Sugarmoiety
SD00009

COC1OC(O)C(O)C(O)C1O