Glycoside
...
GD098844

Name:
None

Formula:
C21H29O11N3

Smiles:
CO[C@@H]1COCC[C@H]1Nc1cn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)[nH]c1=O

Aglycone:
COC(C)=O.COC1COCCC1Nc1c[nH]c(=O)[nH]c1=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.67
AlogP: -0.92 Num_rotatable_bonds: 8
MolWt: 499.47 Num_heavy_atoms: 35
TPSA: 173.48 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
AD42052
Formula: C10H15O4N3

Smiles:
COC1COCCC1Nc1c[nH]c(=O)[nH]c1=O
HBA: 7 RingCount: 2
HBD: 3 FractionCSP3: 0.6
AlogP: -0.72 Num_rotatable_bonds: 3
MolWt: 241.25 Num_heavy_atoms: 17
TPSA: 96.21 NumAromaticRings: 1

Sugarmoiety
SD00105

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