Glycoside
...
GD008855

Name:
None

Formula:
C44H80O19N6

Smiles:
CNCC1OC(OC2C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C(OC3OC(CNC(=O)OC(C)(C)C)C(O)C(O)C3NC(=O)OC(C)(C)C)C2O)C(O)C(NC(=O)OC(C)(C)C)C1O

Aglycone:
CC(C)(C)OC(=O)NC1CC(NC(=O)OC(C)(C)C)C(O)C(O)C1O.CC(C)(C)OC(N)=O.CC(C)(C)OC(N)=O.CNC(=O)OC(C)(C)C

Sugarmoiety:
CNCC1OC(O)C(O)OC1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 3
HBD: 11 FractionCSP3: 0.89
AlogP: 0.73 Num_rotatable_bonds: 12
MolWt: 997.15 Num_heavy_atoms: 69
TPSA: 341.75 NumAromaticRings: 0

Unique Aglycone
AD01170
Formula: C16H30O7N2

Smiles:
CC(C)(C)OC(=O)NC1CC(NC(=O)OC(C)(C)C)C(O)C(O)C1O
HBA: 9 RingCount: 1
HBD: 5 FractionCSP3: 0.88
AlogP: 0.26 Num_rotatable_bonds: 2
MolWt: 362.42 Num_heavy_atoms: 25
TPSA: 137.35 NumAromaticRings: 0
AD01171
Formula: C5H11O2N

Smiles:
CC(C)(C)OC(N)=O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.8
AlogP: 0.88 Num_rotatable_bonds: 0
MolWt: 117.15 Num_heavy_atoms: 8
TPSA: 52.32 NumAromaticRings: 0
AD01173
Formula: C6H13O2N

Smiles:
CNC(=O)OC(C)(C)C
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.83
AlogP: 1.14 Num_rotatable_bonds: 0
MolWt: 131.17 Num_heavy_atoms: 9
TPSA: 38.33 NumAromaticRings: 0

Sugarmoiety
SD01399

CNCC1OC(O)C(O)OC1O.OCC1OC(O)C(O)C(O)C1O