Glycoside
...
GD101153

Name:
None

Formula:
C21H29O10N3

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(N[C@H]3CCOC[C@H]3C)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC1COCCC1Nc1c[nH]c(=O)[nH]c1=O.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 2 FractionCSP3: 0.67
AlogP: -0.3 Num_rotatable_bonds: 7
MolWt: 483.47 Num_heavy_atoms: 34
TPSA: 164.25 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
AD42755
Formula: C10H15O3N3

Smiles:
CC1COCCC1Nc1c[nH]c(=O)[nH]c1=O
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.6
AlogP: -0.1 Num_rotatable_bonds: 2
MolWt: 225.25 Num_heavy_atoms: 16
TPSA: 86.98 NumAromaticRings: 1

Sugarmoiety
SD00105

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