Glycoside
...
GD114064

Name:
None

Formula:
C35H55O10N

Smiles:
CCCCCCCCCCCCCCCc1ccc(N)c(O[C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c1

Aglycone:
CCCCCCCCCCCCCCCc1ccc(N)c(O)c1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 2 FractionCSP3: 0.71
AlogP: 6.36 Num_rotatable_bonds: 21
MolWt: 649.82 Num_heavy_atoms: 46
TPSA: 149.68 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
AD44048
Formula: C21H37ON

Smiles:
CCCCCCCCCCCCCCCc1ccc(N)c(O)c1
HBA: 2 RingCount: 1
HBD: 3 FractionCSP3: 0.71
AlogP: 6.61 Num_rotatable_bonds: 14
MolWt: 319.53 Num_heavy_atoms: 23
TPSA: 46.25 NumAromaticRings: 1

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O