Glycoside
...
GD025616

Name:
None

Formula:
C36H57O13N

Smiles:
CCCC(=O)O[C@@H]1[C@H](C)O[C@H](O[C@H]2[C@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)C=CC=CC[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@H]2OC)[C@H](O)[C@H]1N(C)C

Aglycone:
CCCC(=O)O.COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(OC(C)=O)C(C)CC(CC=O)C1O

Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 1 FractionCSP3: 0.75
AlogP: 3.07 Num_rotatable_bonds: 11
MolWt: 711.85 Num_heavy_atoms: 50
TPSA: 173.43 NumAromaticRings: 0

Unique Aglycone
AD00922
Formula: C4H8O2

Smiles:
CCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.87 Num_rotatable_bonds: 2
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0
AD01717
Formula: C24H36O9

Smiles:
COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(OC(C)=O)C(C)CC(CC=O)C1O
HBA: 9 RingCount: 1
HBD: 1 FractionCSP3: 0.67
AlogP: 2.3 Num_rotatable_bonds: 5
MolWt: 468.54 Num_heavy_atoms: 33
TPSA: 125.43 NumAromaticRings: 0

Sugarmoiety
SD00048

CC1OC(O)C(O)C(N(C)C)C1O