Glycoside
...
GD001289

Name:
None

Formula:
C28H33O11N

Smiles:
CCOCC(=O)c1c(O)oc2c(C)c(O[C@@H]3OC(C)(C)[C@H](OC)[C@H](OC(=O)c4ccc(C)[nH]4)[C@H]3O)ccc2c1=O

Aglycone:
CCOCC(=O)c1c(O)oc2c(C)c(O)ccc2c1=O.Cc1ccc(C(=O)O)[nH]1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 3 FractionCSP3: 0.46
AlogP: 2.78 Num_rotatable_bonds: 9
MolWt: 559.57 Num_heavy_atoms: 40
TPSA: 166.75 NumAromaticRings: 3

Unique Aglycone
AD00152
Formula: C6H7O2N

Smiles:
Cc1ccc(C(=O)O)[nH]1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 1.02 Num_rotatable_bonds: 1
MolWt: 125.13 Num_heavy_atoms: 9
TPSA: 53.09 NumAromaticRings: 1
AD01324
Formula: C14H14O6

Smiles:
CCOCC(=O)c1c(O)oc2c(C)c(O)ccc2c1=O
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.29
AlogP: 1.73 Num_rotatable_bonds: 4
MolWt: 278.26 Num_heavy_atoms: 20
TPSA: 96.97 NumAromaticRings: 2

Sugarmoiety
SD00066

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