Glycoside
...
GD097978

Name:
None

Formula:
C21H22O10N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(C(N)=O)nc3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=O)c1ccc(-c2c[nH]c(=O)[nH]c2=O)cn1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 3 FractionCSP3: 0.38
AlogP: -0.98 Num_rotatable_bonds: 7
MolWt: 490.43 Num_heavy_atoms: 35
TPSA: 198.97 NumAromaticRings: 2

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
AD41675
Formula: C10H8O3N4

Smiles:
NC(=O)c1ccc(-c2c[nH]c(=O)[nH]c2=O)cn1
HBA: 7 RingCount: 2
HBD: 4 FractionCSP3: 0.0
AlogP: -0.78 Num_rotatable_bonds: 2
MolWt: 232.2 Num_heavy_atoms: 17
TPSA: 121.7 NumAromaticRings: 2

Sugarmoiety
SD00105

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