Glycoside
...
GD013340

Name:
None

Formula:
C25H42O8N2

Smiles:
CO[C@H](C(=O)N[C@@H]1CC[C@H](OC(=O)C2CCCCC2)CNC1=O)[C@H](O)[C@H](O)[C@H](O)C=CC(C)(C)C

Aglycone:
C=CC(C)(C)C.NC1CCC(OC(=O)C2CCCCC2)CNC1=O

Sugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)O

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 5 FractionCSP3: 0.8
AlogP: 0.57 Num_rotatable_bonds: 9
MolWt: 498.62 Num_heavy_atoms: 35
TPSA: 154.42 NumAromaticRings: 0

Unique Aglycone
AD00410
Formula: C6H12

Smiles:
C=CC(C)(C)C
HBA: 0 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 2.22 Num_rotatable_bonds: 0
MolWt: 84.16 Num_heavy_atoms: 6
TPSA: 0.0 NumAromaticRings: 0
AD05976
Formula: C13H22O3N2

Smiles:
NC1CCC(OC(=O)C2CCCCC2)CNC1=O
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.85
AlogP: 0.72 Num_rotatable_bonds: 2
MolWt: 254.33 Num_heavy_atoms: 18
TPSA: 81.42 NumAromaticRings: 0

Sugarmoiety
SD00152

COC(C(=O)O)C(O)C(O)C(O)O