Glycoside
...
GD024221

Name:
None

Formula:
C25H33O11N

Smiles:
CCOC(=O)c1c(O)oc2c(C)c(O[C@@H]3OC(C)(C)[C@H](OC)[C@H](OC(=O)NC(C)C)[C@H]3O)ccc2c1=O

Aglycone:
CC(C)NC(=O)O.CCOC(=O)c1c(O)oc2c(C)c(O)ccc2c1=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 3 FractionCSP3: 0.56
AlogP: 2.38 Num_rotatable_bonds: 7
MolWt: 523.54 Num_heavy_atoms: 37
TPSA: 162.99 NumAromaticRings: 2

Unique Aglycone
AD02315
Formula: C13H12O6

Smiles:
CCOC(=O)c1c(O)oc2c(C)c(O)ccc2c1=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
AD07182
Formula: C4H9O2N

Smiles:
CC(C)NC(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.75
AlogP: 0.66 Num_rotatable_bonds: 1
MolWt: 103.12 Num_heavy_atoms: 7
TPSA: 49.33 NumAromaticRings: 0

Sugarmoiety
SD00066

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