Glycoside
...
GD026137

Name:
None

Formula:
C32H44O14N2

Smiles:
C=CCOC(=O)NC1C(OC(C)[C@H](NC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)OC(COC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
C=CCOC(N)=O.CC(O)C(NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C.COC(C)=O

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

Other Identifiers

Properties
HBA: 16 RingCount: 2
HBD: 2 FractionCSP3: 0.56
AlogP: 2.46 Num_rotatable_bonds: 14
MolWt: 680.7 Num_heavy_atoms: 48
TPSA: 200.32 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
AD17251
Formula: C4H7O2N

Smiles:
C=CCOC(N)=O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.25
AlogP: 0.27 Num_rotatable_bonds: 2
MolWt: 101.11 Num_heavy_atoms: 7
TPSA: 52.32 NumAromaticRings: 0
AD17252
Formula: C16H23O5N

Smiles:
CC(O)C(NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C
HBA: 6 RingCount: 1
HBD: 2 FractionCSP3: 0.5
AlogP: 2.0 Num_rotatable_bonds: 5
MolWt: 309.36 Num_heavy_atoms: 22
TPSA: 84.86 NumAromaticRings: 1

Sugarmoiety
SD00013

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