Glycoside
...
GD016129

Name:
None

Formula:
C28H38O14N2

Smiles:
CCN1C(=O)[C@@H]2CC[C@@H]3C(=NO[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)C[C@H](O)[C@H](O)[C@H]3[C@H]2C1=O

Aglycone:
CCN1C(=O)C2CCC3C(=NO)CC(O)C(O)C3C2C1=O.COC(C)=O

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

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 2 FractionCSP3: 0.75
AlogP: -0.79 Num_rotatable_bonds: 8
MolWt: 626.61 Num_heavy_atoms: 44
TPSA: 213.86 NumAromaticRings: 0

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
AD11650
Formula: C14H20O5N2

Smiles:
CCN1C(=O)C2CCC3C(=NO)CC(O)C(O)C3C2C1=O
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 0.79
AlogP: -0.41 Num_rotatable_bonds: 1
MolWt: 296.32 Num_heavy_atoms: 21
TPSA: 110.43 NumAromaticRings: 0

Sugarmoiety
SD00012

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