Glycoside
...
GD111613

Name:
None

Formula:
C32H48O10N2

Smiles:
CC(C)(C)C(=O)OC[C@@H]1O[C@H](NC(=O)c2ccccn2)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C

Aglycone:
CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.COC(=O)C(C)(C)C.NC(=O)c1ccccn1

Sugarmoiety:
OCC1OC(O)C(O)C(O)O1

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 1 FractionCSP3: 0.69
AlogP: 4.0 Num_rotatable_bonds: 7
MolWt: 620.74 Num_heavy_atoms: 44
TPSA: 156.42 NumAromaticRings: 1

Unique Aglycone
AD03091
Formula: C5H10O2

Smiles:
CC(C)(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 1.12 Num_rotatable_bonds: 0
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD03093
Formula: C6H12O2

Smiles:
COC(=O)C(C)(C)C
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.83
AlogP: 1.21 Num_rotatable_bonds: 0
MolWt: 116.16 Num_heavy_atoms: 8
TPSA: 26.3 NumAromaticRings: 0
AD11428
Formula: C6H6ON2

Smiles:
NC(=O)c1ccccn1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 0.18 Num_rotatable_bonds: 1
MolWt: 122.13 Num_heavy_atoms: 9
TPSA: 55.98 NumAromaticRings: 1

Sugarmoiety
SD01013

OCC1OC(O)C(O)C(O)O1