Glycoside
...
GD028932

Name:
None

Formula:
C31H44O12N2

Smiles:
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NCCC2OCC(C)(C)CO2)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC1(C)COC(CCNC(Cc2ccccc2)C(N)=O)OC1.COC(C)=O

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.65
AlogP: 1.18 Num_rotatable_bonds: 13
MolWt: 636.7 Num_heavy_atoms: 45
TPSA: 174.02 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
AD10570
Formula: C17H26O3N2

Smiles:
CC1(C)COC(CCNC(Cc2ccccc2)C(N)=O)OC1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.59
AlogP: 1.46 Num_rotatable_bonds: 7
MolWt: 306.41 Num_heavy_atoms: 22
TPSA: 73.58 NumAromaticRings: 1

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O