Glycoside
...
GD095841

Name:
None

Formula:
C21H24O10N2

Smiles:
COc1cc(C)c(C(=O)O[C@@H]2[C@@H](CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H]2OC(C)=O)c(OC)c1

Aglycone:
COc1cc(C)c(C(=O)O)c(OC)c1.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.43
AlogP: -0.09 Num_rotatable_bonds: 7
MolWt: 464.43 Num_heavy_atoms: 33
TPSA: 155.38 NumAromaticRings: 2

Unique Aglycone
AD00106
Formula: C4H4O2N2

Smiles:
O=c1cc[nH]c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.94 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.72 NumAromaticRings: 1
AD02489
Formula: C10H12O4

Smiles:
COc1cc(C)c(C(=O)O)c(OC)c1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.3
AlogP: 1.71 Num_rotatable_bonds: 3
MolWt: 196.2 Num_heavy_atoms: 14
TPSA: 55.76 NumAromaticRings: 1

Sugarmoiety
SD00574

CC(=O)OC1C(O)OC(CO)C1O