Glycoside
...
GD028794

Name:
None

Formula:
C24H31O12N

Smiles:
CCONC(=O)O[C@@H]1[C@H](O)[C@H](Oc2ccc3c(O)c(C(=O)OCC)c(=O)oc3c2C)OC(C)(C)[C@H]1OC

Aglycone:
CCOC(=O)c1c(O)c2ccc(O)c(C)c2oc1=O.CCONC(=O)O

Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 3 FractionCSP3: 0.54
AlogP: 1.92 Num_rotatable_bonds: 8
MolWt: 525.51 Num_heavy_atoms: 37
TPSA: 172.22 NumAromaticRings: 2

Unique Aglycone
AD18774
Formula: C13H12O6

Smiles:
CCOC(=O)c1c(O)c2ccc(O)c(C)c2oc1=O
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.23
AlogP: 1.69 Num_rotatable_bonds: 2
MolWt: 264.23 Num_heavy_atoms: 19
TPSA: 96.97 NumAromaticRings: 2
AD18775
Formula: C3H7O3N

Smiles:
CCONC(=O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.67
AlogP: 0.21 Num_rotatable_bonds: 2
MolWt: 105.09 Num_heavy_atoms: 7
TPSA: 58.56 NumAromaticRings: 0

Sugarmoiety
SD00066

COC1C(O)C(O)C(O)OC1(C)C