Glycoside
...
GD101558

Name:
None

Formula:
C20H25O9N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](/[NH+]=c2/cc3nccc-3[nH][nH]2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.[NH2+]=c1cc2nccc-2[nH][nH]1

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1[OH+]

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 3 FractionCSP3: 0.5
AlogP: -2.09 Num_rotatable_bonds: 6
MolWt: 465.44 Num_heavy_atoms: 33
TPSA: 172.87 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
AD42990
Formula: C6H7N4

Smiles:
[NH2+]=c1cc2nccc-2[nH][nH]1
HBA: 4 RingCount: 2
HBD: 4 FractionCSP3: 0.0
AlogP: -1.5 Num_rotatable_bonds: 0
MolWt: 135.15 Num_heavy_atoms: 10
TPSA: 70.06 NumAromaticRings: 0

Sugarmoiety
SD04124

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1[OH+]