Glycoside
...
GD108151

Name:
None

Formula:
C25H23O10N3

Smiles:
COc1cccc(C(=O)O[C@H](C(=O)Nc2ccc(OC)nn2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1

Aglycone:
COc1ccc(N)nn1.COc1cccc(C=O)c1.COc1cccc(C=O)c1

Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 2 FractionCSP3: 0.2
AlogP: 1.98 Num_rotatable_bonds: 11
MolWt: 525.47 Num_heavy_atoms: 38
TPSA: 172.47 NumAromaticRings: 3

Unique Aglycone
AD30697
Formula: C5H7ON3

Smiles:
COc1ccc(N)nn1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.2
AlogP: 0.07 Num_rotatable_bonds: 1
MolWt: 125.13 Num_heavy_atoms: 9
TPSA: 61.03 NumAromaticRings: 1
AD44013
Formula: C8H8O2

Smiles:
COc1cccc(C=O)c1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 1.51 Num_rotatable_bonds: 2
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 26.3 NumAromaticRings: 1

Sugarmoiety
SD00296

O=C(O)C(OO)C(OO)C(=O)O