Glycoside
...
GD094948

Name:
None

Formula:
C19H25O11N3

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(NCC(=O)CCO)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C(CCO)CNc1c[nH]c(=O)[nH]c1=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 3 FractionCSP3: 0.58
AlogP: -1.78 Num_rotatable_bonds: 10
MolWt: 471.42 Num_heavy_atoms: 33
TPSA: 192.32 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
AD40574
Formula: C8H11O4N3

Smiles:
O=C(CCO)CNc1c[nH]c(=O)[nH]c1=O
HBA: 7 RingCount: 1
HBD: 4 FractionCSP3: 0.38
AlogP: -1.57 Num_rotatable_bonds: 5
MolWt: 213.19 Num_heavy_atoms: 15
TPSA: 115.05 NumAromaticRings: 1

Sugarmoiety
SD00105

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