Glycoside
...
GD106031

Name:
None

Formula:
C18H30O13N6

Smiles:
CNC(=O)OC[C@]1(OC(=O)NC)O[C@](COC(=O)NC)(OC(=O)NC)[C@H](OC(=O)NC)[C@@H]1OC(=O)NC

Aglycone:
CNC(=O)O.CNC(=O)O.CNC(=O)O.CNC(=O)O.CNC(=O)OC.CNC(=O)OC

Sugarmoiety:
OCC1(O)OOC(O)(CO)O1

Other Identifiers

Properties
HBA: 19 RingCount: 1
HBD: 6 FractionCSP3: 0.67
AlogP: -1.72 Num_rotatable_bonds: 8
MolWt: 538.47 Num_heavy_atoms: 37
TPSA: 239.21 NumAromaticRings: 0

Unique Aglycone
AD00472
Formula: C3H7O2N

Smiles:
CNC(=O)OC
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: -0.03 Num_rotatable_bonds: 0
MolWt: 89.09 Num_heavy_atoms: 6
TPSA: 38.33 NumAromaticRings: 0
AD04971
Formula: C2H5O2N

Smiles:
CNC(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.5
AlogP: -0.12 Num_rotatable_bonds: 0
MolWt: 75.07 Num_heavy_atoms: 5
TPSA: 49.33 NumAromaticRings: 0

Sugarmoiety
SD04166

OCC1(O)OOC(O)(CO)O1