Glycoside
...
GD100341

Name:
None

Formula:
C24H31O10N

Smiles:
COc1ccc2c(c1)C[C@H](N[C@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)C2

Aglycone:
COC(C)=O.COc1ccc2c(c1)CC(N)C2

Sugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 1 FractionCSP3: 0.58
AlogP: 0.84 Num_rotatable_bonds: 8
MolWt: 493.51 Num_heavy_atoms: 35
TPSA: 135.69 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD27339
Formula: C10H13ON

Smiles:
COc1ccc2c(c1)CC(N)C2
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.4
AlogP: 1.12 Num_rotatable_bonds: 1
MolWt: 163.22 Num_heavy_atoms: 12
TPSA: 35.25 NumAromaticRings: 1

Sugarmoiety
SD00215

CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O