Glycoside
...
GD095918

Name:
None

Formula:
C20H22O10N2

Smiles:
COc1cc(O)cc(C)c1C(=O)O[C@@H]1[C@H](CO)O[C@H](n2ccc(=O)[nH]c2=O)[C@@H]1OC(C)=O

Aglycone:
COc1cc(O)cc(C)c1C(=O)O.O=c1cc[nH]c(=O)[nH]1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 3 FractionCSP3: 0.4
AlogP: -0.39 Num_rotatable_bonds: 6
MolWt: 450.4 Num_heavy_atoms: 32
TPSA: 166.38 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
AD08265
Formula: C9H10O4

Smiles:
COc1cc(O)cc(C)c1C(=O)O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 1.41 Num_rotatable_bonds: 2
MolWt: 182.17 Num_heavy_atoms: 13
TPSA: 66.76 NumAromaticRings: 1

Sugarmoiety
SD00574

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